N-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide

C20H15N3O3 — CID 146084505

IUPACN-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESN#Cc1ccc(Oc2cccc(NC(=O)c3ncoc3C3CC3)c2)cc1
InChIInChI=1S/C20H15N3O3/c21-11-13-4-8-16(9-5-13)26-17-3-1-2-15(10-17)23-20(24)18-19(14-6-7-14)25-12-22-18/h1-5,8-10,12,14H,6-7H2,(H,23,24)
InChIKeyVTLHMDRRPZXUDF-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.47
Rot. Bonds5

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

N-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide (PubChem CID 146084505) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
PubChem CID146084505
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESN#Cc1ccc(Oc2cccc(NC(=O)c3ncoc3C3CC3)c2)cc1
InChIInChI=1S/C20H15N3O3/c21-11-13-4-8-16(9-5-13)26-17-3-1-2-15(10-17)23-20(24)18-19(14-6-7-14)25-12-22-18/h1-5,8-10,12,14H,6-7H2,(H,23,24)
InChIKeyVTLHMDRRPZXUDF-UHFFFAOYSA-N
XLogP4.47
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 4-[3-(4-cyanophenoxy)anilino]-4-oxobutanoate
CID 166181915
(3aS,6aR)-2-[[3-(4-cyanophenoxy)phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122079495
4-[3-[[3-(4-cyanophenoxy)anilino]sulfanylamino]phenoxy]benzonitrile
CID 126674701
N-(4-bromo-3-cyanophenyl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 167921939
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
6-cyano-N-[(3-phenoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 59700786
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
CID 16567527
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
4-[4-[(3-cyanophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002070
2-N-(4-cyanophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093044
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide (CID 146084505) is N-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide is N#Cc1ccc(Oc2cccc(NC(=O)c3ncoc3C3CC3)c2)cc1.
What is the InChIKey of N-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide?
The InChIKey is VTLHMDRRPZXUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c21-11-13-4-8-16(9-5-13)26-17-3-1-2-15(10-17)23-20(24)18-19(14-6-7-14)25-12-22-18/h1-5,8-10,12,14H,6-7H2,(H,23,24).
What are the key properties of N-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide?
N-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyanophenoxy)phenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 146084505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).