1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide

C15H25N3O2 — CID 115437572

IUPAC1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H25N3O2/c1-11-13(12(2)20-17-11)9-18(3)14(19)15(10-16)7-5-4-6-8-15/h4-10,16H2,1-3H3
InChIKeyZYFRLSJHJUAVIF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.16
Rot. Bonds4

About 1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 115437572) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID115437572
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H25N3O2/c1-11-13(12(2)20-17-11)9-18(3)14(19)15(10-16)7-5-4-6-8-15/h4-10,16H2,1-3H3
InChIKeyZYFRLSJHJUAVIF-UHFFFAOYSA-N
XLogP2.16
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119565839
1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 96603384
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
CID 61164745
1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 54593229
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylprop-2-enamide
CID 60949726
1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119689274
2-amino-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-oxoethyl]acetamide
CID 60964166
1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115437487
1-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447419
1-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 81168317

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide (CID 115437572) is 1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide is Cc1noc(C)c1CN(C)C(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is ZYFRLSJHJUAVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-13(12(2)20-17-11)9-18(3)14(19)15(10-16)7-5-4-6-8-15/h4-10,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115437572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).