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

C17H29N3O2 — CID 97240756

IUPAC(3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide
SMILESCc1noc(C)c1CCCNC(=O)N1CC[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C17H29N3O2/c1-12-7-9-20(11-13(2)10-12)17(21)18-8-5-6-16-14(3)19-22-15(16)4/h12-13H,5-11H2,1-4H3,(H,18,21)/t12-,13+/m0/s1
InChIKeyYVCIXZQXJLMJNZ-QWHCGFSZSA-N
MW307.44 g/mol
LogP3.30
Rot. Bonds4

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

(3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide (PubChem CID 97240756) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide
PubChem CID97240756
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide
SMILESCc1noc(C)c1CCCNC(=O)N1CC[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C17H29N3O2/c1-12-7-9-20(11-13(2)10-12)17(21)18-8-5-6-16-14(3)19-22-15(16)4/h12-13H,5-11H2,1-4H3,(H,18,21)/t12-,13+/m0/s1
InChIKeyYVCIXZQXJLMJNZ-QWHCGFSZSA-N
XLogP3.30
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide with MolForge

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Related Compounds

1-(cyclopropanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide
CID 72871515
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide
CID 138010017
2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
CID 75388720
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethylazepane-1-carboxamide
CID 84589773
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
(1R,2R,3R,4R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124725493
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 154738700
(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide
CID 99826282
(2S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 126445021
4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 52826047
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35743315
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea
CID 71973668

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide?
The IUPAC name of (3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide (CID 97240756) is (3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide.
What is the SMILES notation for (3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide?
The canonical SMILES for (3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide is Cc1noc(C)c1CCCNC(=O)N1CC[C@H](C)C[C@@H](C)C1.
What is the InChIKey of (3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide?
The InChIKey is YVCIXZQXJLMJNZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12-7-9-20(11-13(2)10-12)17(21)18-8-5-6-16-14(3)19-22-15(16)4/h12-13H,5-11H2,1-4H3,(H,18,21)/t12-,13+/m0/s1.
What are the key properties of (3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide?
(3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide is sourced from PubChem (CID 97240756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).