(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide

C24H30N6O4S — CID 170180978

IUPAC(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2cnc(-c3scnc3C)cn2)C(C)C)on1
InChIInChI=1S/C24H30N6O4S/c1-12(2)21(20-6-13(3)29-34-20)24(33)30-10-16(31)7-19(30)23(32)28-14(4)17-8-26-18(9-25-17)22-15(5)27-11-35-22/h6,8-9,11-12,14,16,19,21,31H,7,10H2,1-5H3,(H,28,32)/t14-,16+,19-,21-/m0/s1
InChIKeyHUUBJMVFOCNVFH-RRTIHBJFSA-N
MW498.61 g/mol
LogP2.78
Rot. Bonds7

About (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 170180978) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID170180978
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC Name(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2cnc(-c3scnc3C)cn2)C(C)C)on1
InChIInChI=1S/C24H30N6O4S/c1-12(2)21(20-6-13(3)29-34-20)24(33)30-10-16(31)7-19(30)23(32)28-14(4)17-8-26-18(9-25-17)22-15(5)27-11-35-22/h6,8-9,11-12,14,16,19,21,31H,7,10H2,1-5H3,(H,28,32)/t14-,16+,19-,21-/m0/s1
InChIKeyHUUBJMVFOCNVFH-RRTIHBJFSA-N
XLogP2.78
TPSA134.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2R,4S)-N-[(1R)-2,2-dimethyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propyl]-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
CID 168727053
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 170386411
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]pyrrolidine-2-carboxamide
CID 168901483
methyl (3R)-3-[[(2R,4S)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carbonyl]amino]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate
CID 156836749
(2S,4R)-4-hydroxy-1-[3-methyl-2-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 163400986
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 170385857
(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[[2-methylsulfanyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 174258662
(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[[3-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 155583485
(2S,4R)-1-[(2R)-2-(3-ethenyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170053393
(2R)-1-[(2S,4S)-4-hydroxy-2-[(3R)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 167625663
(2S)-1-[(2S,4S)-4-hydroxy-2-[(3R)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 167625662
(2S,4R)-1-[(2R)-2-[3-(1,3-dioxol-2-ylmethyl)-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 176897715

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide (CID 170180978) is (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide is Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2cnc(-c3scnc3C)cn2)C(C)C)on1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is HUUBJMVFOCNVFH-RRTIHBJFSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-12(2)21(20-6-13(3)29-34-20)24(33)30-10-16(31)7-19(30)23(32)28-14(4)17-8-26-18(9-25-17)22-15(5)27-11-35-22/h6,8-9,11-12,14,16,19,21,31H,7,10H2,1-5H3,(H,28,32)/t14-,16+,19-,21-/m0/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170180978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).