3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H24N4O2 — CID 104979433

IUPAC3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN(C)C2CCCNCC2)no1
InChIInChI=1S/C14H24N4O2/c1-11-10-13(17-20-11)16-14(19)6-9-18(2)12-4-3-7-15-8-5-12/h10,12,15H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyAFNQQKCGLZWLCZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.39
Rot. Bonds5

About 3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 104979433) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID104979433
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN(C)C2CCCNCC2)no1
InChIInChI=1S/C14H24N4O2/c1-11-10-13(17-20-11)16-14(19)6-9-18(2)12-4-3-7-15-8-5-12/h10,12,15H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyAFNQQKCGLZWLCZ-UHFFFAOYSA-N
XLogP1.39
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607199
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109026846
2-[ethyl(piperidin-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 63637463
N-(5-methyl-1,2-oxazol-3-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304380
N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-2-ylpropanamide
CID 62212570
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]sulfanylacetamide
CID 119533077
N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide
CID 43607677
4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide
CID 46572351
2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461
3-(cycloheptylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109031668

Frequently Asked Questions

What is the IUPAC name of 3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 104979433) is 3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCN(C)C2CCCNCC2)no1.
What is the InChIKey of 3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is AFNQQKCGLZWLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-10-13(17-20-11)16-14(19)6-9-18(2)12-4-3-7-15-8-5-12/h10,12,15H,3-9H2,1-2H3,(H,16,17,19).
What are the key properties of 3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azepan-4-yl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 104979433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).