N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C15H25N3O2 — CID 119610269

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NC1CCCCC1CN
InChIInChI=1S/C15H25N3O2/c1-10-13(11(2)20-18-10)7-8-15(19)17-14-6-4-3-5-12(14)9-16/h12,14H,3-9,16H2,1-2H3,(H,17,19)
InChIKeyLUUDTYURNIEMHU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 119610269) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID119610269
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NC1CCCCC1CN
InChIInChI=1S/C15H25N3O2/c1-10-13(11(2)20-18-10)7-8-15(19)17-14-6-4-3-5-12(14)9-16/h12,14H,3-9,16H2,1-2H3,(H,17,19)
InChIKeyLUUDTYURNIEMHU-UHFFFAOYSA-N
XLogP1.86
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 119261004
N-[2-(aminomethyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119603106
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43389662
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032108
cis-(1S,3R)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675637
N-[2-(aminomethyl)cyclohexyl]-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119611977
N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 119609935
N-(3,3-dimethylcyclopentyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 115880663
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 94991534
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-ylmethyl)cyclohexyl]acetamide
CID 75459984

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 119610269) is N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1CCC(=O)NC1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is LUUDTYURNIEMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-13(11(2)20-18-10)7-8-15(19)17-14-6-4-3-5-12(14)9-16/h12,14H,3-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 119610269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).