4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide

C18H30N4O2 — CID 128696754

IUPAC4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
SMILESCc1ncc(CNC(=O)N2CCCN(CC3CCCCC3)CC2)o1
InChIInChI=1S/C18H30N4O2/c1-15-19-12-17(24-15)13-20-18(23)22-9-5-8-21(10-11-22)14-16-6-3-2-4-7-16/h12,16H,2-11,13-14H2,1H3,(H,20,23)
InChIKeyIRIMKFQYUKIHIP-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.78
Rot. Bonds4

About 4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide

4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide (PubChem CID 128696754) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
PubChem CID128696754
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
SMILESCc1ncc(CNC(=O)N2CCCN(CC3CCCCC3)CC2)o1
InChIInChI=1S/C18H30N4O2/c1-15-19-12-17(24-15)13-20-18(23)22-9-5-8-21(10-11-22)14-16-6-3-2-4-7-16/h12,16H,2-11,13-14H2,1H3,(H,20,23)
InChIKeyIRIMKFQYUKIHIP-UHFFFAOYSA-N
XLogP2.78
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide
CID 55911635
4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide
CID 55912276
4-(cyclohexylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 55913020
4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 126777645
4-(cyclohexylmethyl)-N-[3-(4-hydroxyphenyl)propyl]-1,4-diazepane-1-carboxamide
CID 86973304
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370575
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370608
1-[(2-propyl-1,3-oxazol-5-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122016667
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 47067486
2-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]ethanone
CID 119859709
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
(5-bromo-3-pyridinyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone
CID 55956730

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide (CID 128696754) is 4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide is Cc1ncc(CNC(=O)N2CCCN(CC3CCCCC3)CC2)o1.
What is the InChIKey of 4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is IRIMKFQYUKIHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15-19-12-17(24-15)13-20-18(23)22-9-5-8-21(10-11-22)14-16-6-3-2-4-7-16/h12,16H,2-11,13-14H2,1H3,(H,20,23).
What are the key properties of 4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide?
4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 128696754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).