N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide

C12H13N3O3S — CID 32921453

IUPACN-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCc1cc(NC(=O)CCNC(=O)c2ccsc2)no1
InChIInChI=1S/C12H13N3O3S/c1-8-6-10(15-18-8)14-11(16)2-4-13-12(17)9-3-5-19-7-9/h3,5-7H,2,4H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyGESZVZYATVJBDY-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.80
Rot. Bonds5

About N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 32921453) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID32921453
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCc1cc(NC(=O)CCNC(=O)c2ccsc2)no1
InChIInChI=1S/C12H13N3O3S/c1-8-6-10(15-18-8)14-11(16)2-4-13-12(17)9-3-5-19-7-9/h3,5-7H,2,4H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyGESZVZYATVJBDY-UHFFFAOYSA-N
XLogP1.80
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 32921453) is N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide is Cc1cc(NC(=O)CCNC(=O)c2ccsc2)no1.
What is the InChIKey of N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is GESZVZYATVJBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8-6-10(15-18-8)14-11(16)2-4-13-12(17)9-3-5-19-7-9/h3,5-7H,2,4H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 32921453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).