N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide

C17H29N3O2 — CID 71868178

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide
SMILESCc1noc(C)c1CC(C)NC(=O)N1CCCC(C)(C)CC1
InChIInChI=1S/C17H29N3O2/c1-12(11-15-13(2)19-22-14(15)3)18-16(21)20-9-6-7-17(4,5)8-10-20/h12H,6-11H2,1-5H3,(H,18,21)
InChIKeyIDVDYVAXQWSNJY-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.44
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide (PubChem CID 71868178) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide
PubChem CID71868178
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide
SMILESCc1noc(C)c1CC(C)NC(=O)N1CCCC(C)(C)CC1
InChIInChI=1S/C17H29N3O2/c1-12(11-15-13(2)19-22-14(15)3)18-16(21)20-9-6-7-17(4,5)8-10-20/h12H,6-11H2,1-5H3,(H,18,21)
InChIKeyIDVDYVAXQWSNJY-UHFFFAOYSA-N
XLogP3.44
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide
CID 115660921
4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid
CID 65282846
4,4-dimethyl-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]azepane-1-carboxamide
CID 95934326
(3S,4S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122003063
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
(2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide
CID 97065869
(2R)-2-(3-bromophenyl)-N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide
CID 97065868
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine
CID 115722279
tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate
CID 84597373
3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119797706
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]furan-2-carboxylic acid
CID 120692172
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 82140302

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide (CID 71868178) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide is Cc1noc(C)c1CC(C)NC(=O)N1CCCC(C)(C)CC1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide?
The InChIKey is IDVDYVAXQWSNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(11-15-13(2)19-22-14(15)3)18-16(21)20-9-6-7-17(4,5)8-10-20/h12H,6-11H2,1-5H3,(H,18,21).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide is sourced from PubChem (CID 71868178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).