N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide

C18H22N2O3 — CID 110680876

IUPACN-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C18H22N2O3/c1-20-16(17(21)19-14-11-7-2-3-8-12-14)15(18(22)23-20)13-9-5-4-6-10-13/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3,(H,19,21)
InChIKeyROOMWXJCBNCUBP-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.10
Rot. Bonds3

About N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide

N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 110680876) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
PubChem CID110680876
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C18H22N2O3/c1-20-16(17(21)19-14-11-7-2-3-8-12-14)15(18(22)23-20)13-9-5-4-6-10-13/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3,(H,19,21)
InChIKeyROOMWXJCBNCUBP-UHFFFAOYSA-N
XLogP3.10
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680868
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CID 108790626
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
N-cyclooctyl-3-phenylfuran-2-carboxamide
CID 35163513
N-cyclohexyl-3-phenylfuran-2-carboxamide
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CID 22431707
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 713201
1-(4-chlorophenyl)-N-cyclohexyl-6-oxo-4,5-diphenylpyridine-2-carboxamide
CID 10950969
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
N-cyclohexyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 3410229

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (CID 110680876) is N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is Cn1oc(=O)c(-c2ccccc2)c1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ROOMWXJCBNCUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20-16(17(21)19-14-11-7-2-3-8-12-14)15(18(22)23-20)13-9-5-4-6-10-13/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3,(H,19,21).
What are the key properties of N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110680876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).