N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C17H20N2O2 — CID 42929290

IUPACN-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H20N2O2/c1-3-14-15(11(2)21-19-14)17(20)18-16(13-9-10-13)12-7-5-4-6-8-12/h4-8,13,16H,3,9-10H2,1-2H3,(H,18,20)
InChIKeyIGCLWQUWHGCORZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.43
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 42929290) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID42929290
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H20N2O2/c1-3-14-15(11(2)21-19-14)17(20)18-16(13-9-10-13)12-7-5-4-6-8-12/h4-8,13,16H,3,9-10H2,1-2H3,(H,18,20)
InChIKeyIGCLWQUWHGCORZ-UHFFFAOYSA-N
XLogP3.43
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
1-benzyl-5-(3,5-dimethylisoxazol-4-yl)pyridin-2(1H)-one
CID 76683643
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
Mls003170801
CID 332790
Cambridge id 5777587
CID 869900
N-(2-bromobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247401
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
3-(2-chloro-6-fluorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 2374581
N-[4-(diethylamino)phenyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 4791029

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 42929290) is N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IGCLWQUWHGCORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-14-15(11(2)21-19-14)17(20)18-16(13-9-10-13)12-7-5-4-6-8-12/h4-8,13,16H,3,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 42929290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).