3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide

C11H17N3O2 — CID 63041784

IUPAC3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCC(N)C2)on1
InChIInChI=1S/C11H17N3O2/c1-7-5-10(16-14-7)13-11(15)8-3-2-4-9(12)6-8/h5,8-9H,2-4,6,12H2,1H3,(H,13,15)
InChIKeyYNKXXXOUXYXWMN-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.44
Rot. Bonds2

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

3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 63041784) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide
PubChem CID63041784
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCC(N)C2)on1
InChIInChI=1S/C11H17N3O2/c1-7-5-10(16-14-7)13-11(15)8-3-2-4-9(12)6-8/h5,8-9H,2-4,6,12H2,1H3,(H,13,15)
InChIKeyYNKXXXOUXYXWMN-UHFFFAOYSA-N
XLogP1.44
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 63043384
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900
3-amino-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 114052834
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 63041984
cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 95389924
3-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119755255
2-[cyclohexyl(methyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154358
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide (CID 63041784) is 3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2CCCC(N)C2)on1.
What is the InChIKey of 3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is YNKXXXOUXYXWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-5-10(16-14-7)13-11(15)8-3-2-4-9(12)6-8/h5,8-9H,2-4,6,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide?
3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63041784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).