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

C13H21N3O2 — CID 113264029

IUPAC4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1nc(CNC(=O)C2CCC(N)CC2)oc1C
InChIInChI=1S/C13H21N3O2/c1-8-9(2)18-12(16-8)7-15-13(17)10-3-5-11(14)6-4-10/h10-11H,3-7,14H2,1-2H3,(H,15,17)
InChIKeyZQJSYKCOCWJEKV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.43
Rot. Bonds3

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

4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 113264029) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID113264029
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1nc(CNC(=O)C2CCC(N)CC2)oc1C
InChIInChI=1S/C13H21N3O2/c1-8-9(2)18-12(16-8)7-15-13(17)10-3-5-11(14)6-4-10/h10-11H,3-7,14H2,1-2H3,(H,15,17)
InChIKeyZQJSYKCOCWJEKV-UHFFFAOYSA-N
XLogP1.43
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
cyclopropylmethyl N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamate
CID 154804982
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 106371098
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
CID 106375940
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 106371630
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 110714751
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]cyclohexan-1-amine
CID 62807213
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 103796117
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 106371647
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 103832982
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 114180734

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide (CID 113264029) is 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide is Cc1nc(CNC(=O)C2CCC(N)CC2)oc1C.
What is the InChIKey of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ZQJSYKCOCWJEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-9(2)18-12(16-8)7-15-13(17)10-3-5-11(14)6-4-10/h10-11H,3-7,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide?
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 113264029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).