N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride

C16H26ClN3O3 — CID 155819665

IUPACN-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2coc(C3CCCCC3)n2)CCOCC1
InChIInChI=1S/C16H25N3O3.ClH/c17-11-16(6-8-21-9-7-16)19-14(20)13-10-22-15(18-13)12-4-2-1-3-5-12;/h10,12H,1-9,11,17H2,(H,19,20);1H
InChIKeyKSBOEUPWPIKABS-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.38
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride

N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 155819665) has the molecular formula C16H26ClN3O3 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID155819665
Molecular FormulaC16H26ClN3O3
Molecular Weight343.86 g/mol
Exact Mass343.17
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2coc(C3CCCCC3)n2)CCOCC1
InChIInChI=1S/C16H25N3O3.ClH/c17-11-16(6-8-21-9-7-16)19-14(20)13-10-22-15(18-13)12-4-2-1-3-5-12;/h10,12H,1-9,11,17H2,(H,19,20);1H
InChIKeyKSBOEUPWPIKABS-UHFFFAOYSA-N
XLogP2.38
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride 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

(R)-2-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N,N-dimethyloxazole-4-carboxamide
CID 10132648
(R)-2-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)oxazole-4-carboxamide
CID 44571586
4-(2-Methyloxazoyl)-Cha-Ile-NH2
CID 49788155
N-[(2-cyclohexyl-1,3-oxazol-4-yl)methyl]heptan-2-amine
CID 56662503
N-cyclohexyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-oxazole-4-carboxamide
CID 91633762
2-cyclohexyl-N-(2-sulfanylethyl)-1,3-oxazole-4-carboxamide
CID 177680069
N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 86796544
2-cyclohexyl-N-(3-piperidin-1-ylcyclobutyl)-1,3-oxazole-4-carboxamide
CID 128203737
2-cyclobutyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1,3-oxazole-4-carboxamide
CID 132294298
2-[[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 164631110
2-cyclopentyl-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 164634443
2-[[(3,3-Difluorocyclohexanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 132323033

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride (CID 155819665) is N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride is Cl.NCC1(NC(=O)c2coc(C3CCCCC3)n2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is KSBOEUPWPIKABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.ClH/c17-11-16(6-8-21-9-7-16)19-14(20)13-10-22-15(18-13)12-4-2-1-3-5-12;/h10,12H,1-9,11,17H2,(H,19,20);1H.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride?
N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 155819665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).