(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide

C16H18N4O2S — CID 95142746

IUPAC(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide
SMILESCc1noc(C)c1[C@@H](C)C(=O)Nc1ccnn1Cc1ccsc1
InChIInChI=1S/C16H18N4O2S/c1-10(15-11(2)19-22-12(15)3)16(21)18-14-4-6-17-20(14)8-13-5-7-23-9-13/h4-7,9-10H,8H2,1-3H3,(H,18,21)/t10-/m1/s1
InChIKeyZKRYWUKKBFUMRS-SNVBAGLBSA-N
MW330.41 g/mol
LogP3.34
Rot. Bonds5

About (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 95142746) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID95142746
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide
SMILESCc1noc(C)c1[C@@H](C)C(=O)Nc1ccnn1Cc1ccsc1
InChIInChI=1S/C16H18N4O2S/c1-10(15-11(2)19-22-12(15)3)16(21)18-14-4-6-17-20(14)8-13-5-7-23-9-13/h4-7,9-10H,8H2,1-3H3,(H,18,21)/t10-/m1/s1
InChIKeyZKRYWUKKBFUMRS-SNVBAGLBSA-N
XLogP3.34
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide (CID 95142746) is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide is Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccnn1Cc1ccsc1.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is ZKRYWUKKBFUMRS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10(15-11(2)19-22-12(15)3)16(21)18-14-4-6-17-20(14)8-13-5-7-23-9-13/h4-7,9-10H,8H2,1-3H3,(H,18,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide?
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 330.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 95142746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).