1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide

C19H29N3O3 — CID 109149703

IUPAC1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
SMILESCc1cc(NC(=O)C2CCC(C(=O)NC3CCCCCC3)CC2)no1
InChIInChI=1S/C19H29N3O3/c1-13-12-17(22-25-13)21-19(24)15-10-8-14(9-11-15)18(23)20-16-6-4-2-3-5-7-16/h12,14-16H,2-11H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyYMUNBSSLIRNDQU-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.57
Rot. Bonds4

About 1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide

1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149703) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
PubChem CID109149703
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
SMILESCc1cc(NC(=O)C2CCC(C(=O)NC3CCCCCC3)CC2)no1
InChIInChI=1S/C19H29N3O3/c1-13-12-17(22-25-13)21-19(24)15-10-8-14(9-11-15)18(23)20-16-6-4-2-3-5-7-16/h12,14-16H,2-11H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyYMUNBSSLIRNDQU-UHFFFAOYSA-N
XLogP3.57
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cycloheptyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139807
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
N-cyclopentyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996024
1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149254
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
2-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813408
1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150712
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 27242204
2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2862512

Frequently Asked Questions

What is the IUPAC name of 1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide (CID 109149703) is 1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide is Cc1cc(NC(=O)C2CCC(C(=O)NC3CCCCCC3)CC2)no1.
What is the InChIKey of 1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
The InChIKey is YMUNBSSLIRNDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-12-17(22-25-13)21-19(24)15-10-8-14(9-11-15)18(23)20-16-6-4-2-3-5-7-16/h12,14-16H,2-11H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).