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

C14H22N4O3 — CID 64561893

IUPACN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)C2CCCCCN2)no1
InChIInChI=1S/C14H22N4O3/c1-10-8-12(17-21-10)16-13(19)9-18(2)14(20)11-6-4-3-5-7-15-11/h8,11,15H,3-7,9H2,1-2H3,(H,16,17,19)
InChIKeyAYQPERJOLGUGAH-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.91
Rot. Bonds4

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

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide (PubChem CID 64561893) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide
PubChem CID64561893
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)C2CCCCCN2)no1
InChIInChI=1S/C14H22N4O3/c1-10-8-12(17-21-10)16-13(19)9-18(2)14(20)11-6-4-3-5-7-15-11/h8,11,15H,3-7,9H2,1-2H3,(H,16,17,19)
InChIKeyAYQPERJOLGUGAH-UHFFFAOYSA-N
XLogP0.91
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119275400
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-2-carboxamide
CID 64561642
N-(5-methyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 18071476
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
(2R,3S)-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]morpholine-3-carboxamide
CID 120920338
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide
CID 103809357
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607199
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291382
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
CID 64562456
N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-2-ylpropanamide
CID 62212570
N-cyclohexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 42768746
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119697235

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide (CID 64561893) is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide is Cc1cc(NC(=O)CN(C)C(=O)C2CCCCCN2)no1.
What is the InChIKey of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide?
The InChIKey is AYQPERJOLGUGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-8-12(17-21-10)16-13(19)9-18(2)14(20)11-6-4-3-5-7-15-11/h8,11,15H,3-7,9H2,1-2H3,(H,16,17,19).
What are the key properties of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide?
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide is sourced from PubChem (CID 64561893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).