(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide

C19H23N5O2 — CID 95861634

IUPAC(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
SMILESCc1nc(C)n(C[C@H](C)C(=O)N(C)Cc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C19H23N5O2/c1-13(11-24-15(3)20-14(2)21-24)19(25)23(4)12-17-10-18(22-26-17)16-8-6-5-7-9-16/h5-10,13H,11-12H2,1-4H3/t13-/m0/s1
InChIKeyVDRBPYHVHLIGLI-ZDUSSCGKSA-N
MW353.43 g/mol
LogP2.84
Rot. Bonds6

About (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide

(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide (PubChem CID 95861634) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
PubChem CID95861634
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
SMILESCc1nc(C)n(C[C@H](C)C(=O)N(C)Cc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C19H23N5O2/c1-13(11-24-15(3)20-14(2)21-24)19(25)23(4)12-17-10-18(22-26-17)16-8-6-5-7-9-16/h5-10,13H,11-12H2,1-4H3/t13-/m0/s1
InChIKeyVDRBPYHVHLIGLI-ZDUSSCGKSA-N
XLogP2.84
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 97148008
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70773837
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
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(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride
CID 154895539
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanoic acid
CID 3162905
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CID 70777582
2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
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CID 72902762
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 70786939
2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
CID 95875059
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide?
The IUPAC name of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide (CID 95861634) is (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide.
What is the SMILES notation for (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide?
The canonical SMILES for (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide is Cc1nc(C)n(C[C@H](C)C(=O)N(C)Cc2cc(-c3ccccc3)no2)n1.
What is the InChIKey of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide?
The InChIKey is VDRBPYHVHLIGLI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(11-24-15(3)20-14(2)21-24)19(25)23(4)12-17-10-18(22-26-17)16-8-6-5-7-9-16/h5-10,13H,11-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide?
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide has a molecular weight of 353.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide is sourced from PubChem (CID 95861634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).