N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide

C12H17N3O4 — CID 113002379

IUPACN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)C2CCOCC2)no1
InChIInChI=1S/C12H17N3O4/c1-8-6-10(15-19-8)14-11(16)7-13-12(17)9-2-4-18-5-3-9/h6,9H,2-5,7H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyIDCAZNMKJVIVFL-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.46
Rot. Bonds4

About N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide (PubChem CID 113002379) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
PubChem CID113002379
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)C2CCOCC2)no1
InChIInChI=1S/C12H17N3O4/c1-8-6-10(15-19-8)14-11(16)7-13-12(17)9-2-4-18-5-3-9/h6,9H,2-5,7H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyIDCAZNMKJVIVFL-UHFFFAOYSA-N
XLogP0.46
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 27242204
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 110605031
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110370264
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide
CID 112990399
N-(5-methyl-1,2-oxazol-3-yl)-3-(oxan-4-ylsulfanyl)propanamide
CID 75389694
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113023357
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
3-acetamido-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614580
2-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813408
1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150712
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide (CID 113002379) is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide is Cc1cc(NC(=O)CNC(=O)C2CCOCC2)no1.
What is the InChIKey of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is IDCAZNMKJVIVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-6-10(15-19-8)14-11(16)7-13-12(17)9-2-4-18-5-3-9/h6,9H,2-5,7H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide?
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 113002379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).