3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one

C16H19N3O2 — CID 20798969

IUPAC3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one
SMILESCNC1CCCC(c2ccccc2)N(c2ncco2)C1=O
InChIInChI=1S/C16H19N3O2/c1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16/h2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3
InChIKeyLVLCMTPNNJJEQY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.52
Rot. Bonds3

About 3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one

3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one (PubChem CID 20798969) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one
PubChem CID20798969
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one
SMILESCNC1CCCC(c2ccccc2)N(c2ncco2)C1=O
InChIInChI=1S/C16H19N3O2/c1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16/h2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3
InChIKeyLVLCMTPNNJJEQY-UHFFFAOYSA-N
XLogP2.52
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-fluoro-1-[2-(1,3-oxazol-2-ylamino)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140044
2-methyl-N-(1,3-oxazol-2-yl)benzamide
CID 118707930
1-(1,3-oxazol-2-yl)-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea
CID 99706450
4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide
CID 70489070
4-fluoro-1-[2-(1,3-oxazol-2-ylamino)acetyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138649
1-(1,3-Oxazol-2-yl)-3-[2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea
CID 91650592
1-(1,3-oxazol-2-yl)-3-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea
CID 99706449
2-(2,4-difluorophenyl)-N-[rel-(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)-4-piperidinyl]acetamide
CID 166615685
3-(Methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one
CID 20798962
3-(Methylamino)-1-(1,3-oxazol-2-ylmethyl)-7-phenylazepan-2-one
CID 20798970
3-(Methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one
CID 20798971
N-(1,3-oxazol-2-yl)benzamide
CID 21998776

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one?
The IUPAC name of 3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one (CID 20798969) is 3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one.
What is the SMILES notation for 3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one?
The canonical SMILES for 3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one is CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.
What is the InChIKey of 3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one?
The InChIKey is LVLCMTPNNJJEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16/h2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3.
What are the key properties of 3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one?
3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one has a molecular weight of 285.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one is sourced from PubChem (CID 20798969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).