(2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C16H21N3O2S — CID 95981984

IUPAC(2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1cnc([C@H](NC(=O)[C@@H](C)c2c(C)noc2C)C2CC2)s1
InChIInChI=1S/C16H21N3O2S/c1-8-7-17-16(22-8)14(12-5-6-12)18-15(20)9(2)13-10(3)19-21-11(13)4/h7,9,12,14H,5-6H2,1-4H3,(H,18,20)/t9-,14+/m0/s1
InChIKeyOFXODUAZERJZRT-LKFCYVNXSA-N
MW319.43 g/mol
LogP3.43
Rot. Bonds5

About (2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

(2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 95981984) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID95981984
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1cnc([C@H](NC(=O)[C@@H](C)c2c(C)noc2C)C2CC2)s1
InChIInChI=1S/C16H21N3O2S/c1-8-7-17-16(22-8)14(12-5-6-12)18-15(20)9(2)13-10(3)19-21-11(13)4/h7,9,12,14H,5-6H2,1-4H3,(H,18,20)/t9-,14+/m0/s1
InChIKeyOFXODUAZERJZRT-LKFCYVNXSA-N
XLogP3.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of (2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 95981984) is (2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for (2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for (2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1cnc([C@H](NC(=O)[C@@H](C)c2c(C)noc2C)C2CC2)s1.
What is the InChIKey of (2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is OFXODUAZERJZRT-LKFCYVNXSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-8-7-17-16(22-8)14(12-5-6-12)18-15(20)9(2)13-10(3)19-21-11(13)4/h7,9,12,14H,5-6H2,1-4H3,(H,18,20)/t9-,14+/m0/s1.
What are the key properties of (2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
(2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 319.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 95981984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).