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

C12H19N3O2 — CID 64569142

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide
SMILESCc1cc(CNC(=O)C2CCCCCN2)on1
InChIInChI=1S/C12H19N3O2/c1-9-7-10(17-15-9)8-14-12(16)11-5-3-2-4-6-13-11/h7,11,13H,2-6,8H2,1H3,(H,14,16)
InChIKeyLXWJXFMKCFRAPT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.13
Rot. Bonds3

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

N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide (PubChem CID 64569142) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide
PubChem CID64569142
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide
SMILESCc1cc(CNC(=O)C2CCCCCN2)on1
InChIInChI=1S/C12H19N3O2/c1-9-7-10(17-15-9)8-14-12(16)11-5-3-2-4-6-13-11/h7,11,13H,2-6,8H2,1H3,(H,14,16)
InChIKeyLXWJXFMKCFRAPT-UHFFFAOYSA-N
XLogP1.13
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 97014181
N-[(5-methylfuran-2-yl)methyl]azepane-2-carboxamide
CID 64571161
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 103812203
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 82237400
(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
CID 103812920
N-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide
CID 81170885
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 93431387
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidine-2-carboxamide
CID 106370890
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119839231
N-(5-methyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 18071476
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide (CID 64569142) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide is Cc1cc(CNC(=O)C2CCCCCN2)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide?
The InChIKey is LXWJXFMKCFRAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-10(17-15-9)8-14-12(16)11-5-3-2-4-6-13-11/h7,11,13H,2-6,8H2,1H3,(H,14,16).
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide is sourced from PubChem (CID 64569142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).