N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide

C19H18N4O3S — CID 167851749

IUPACN-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ncsc1C(=O)N1CC[C@@H](NC(=O)c2cnoc2-c2ccccc2)C1
InChIInChI=1S/C19H18N4O3S/c1-12-17(27-11-20-12)19(25)23-8-7-14(10-23)22-18(24)15-9-21-26-16(15)13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyLWJWWBAPZWEXTM-CQSZACIVSA-N
MW382.45 g/mol
LogP2.75
Rot. Bonds4

About N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide

N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 167851749) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID167851749
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ncsc1C(=O)N1CC[C@@H](NC(=O)c2cnoc2-c2ccccc2)C1
InChIInChI=1S/C19H18N4O3S/c1-12-17(27-11-20-12)19(25)23-8-7-14(10-23)22-18(24)15-9-21-26-16(15)13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyLWJWWBAPZWEXTM-CQSZACIVSA-N
XLogP2.75
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417268
N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 72863523
N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide
CID 166192357
N-methyl-6-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847922
4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49362488
[(3R)-3-[(6-chloro-1,3-benzoxazol-2-yl)amino]pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
CID 42641843
4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 97237121
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 42245013
(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170262
1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119136798
3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590614
N-[[(3R)-1-(5-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 97271529

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide (CID 167851749) is N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide is Cc1ncsc1C(=O)N1CC[C@@H](NC(=O)c2cnoc2-c2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is LWJWWBAPZWEXTM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12-17(27-11-20-12)19(25)23-8-7-14(10-23)22-18(24)15-9-21-26-16(15)13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide?
N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 167851749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).