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

C17H21N3O2 — CID 119338167

IUPAC1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCCCC2)cc1-c1ncco1
InChIInChI=1S/C17H21N3O2/c1-12-5-6-13(11-14(12)15-19-9-10-22-15)20-16(21)17(18)7-3-2-4-8-17/h5-6,9-11H,2-4,7-8,18H2,1H3,(H,20,21)
InChIKeyLAJIXUWUJHKKMD-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.25
Rot. Bonds3

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

1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119338167) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID119338167
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCCCC2)cc1-c1ncco1
InChIInChI=1S/C17H21N3O2/c1-12-5-6-13(11-14(12)15-19-9-10-22-15)20-16(21)17(18)7-3-2-4-8-17/h5-6,9-11H,2-4,7-8,18H2,1H3,(H,20,21)
InChIKeyLAJIXUWUJHKKMD-UHFFFAOYSA-N
XLogP3.25
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide (CID 119338167) is 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2(N)CCCCC2)cc1-c1ncco1.
What is the InChIKey of 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is LAJIXUWUJHKKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-5-6-13(11-14(12)15-19-9-10-22-15)20-16(21)17(18)7-3-2-4-8-17/h5-6,9-11H,2-4,7-8,18H2,1H3,(H,20,21).
What are the key properties of 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119338167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).