5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

C19H14ClN3O — CID 98385823

IUPAC5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(/C=C\c2ccccc2)oc1NCc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O/c20-16-9-6-15(7-10-16)13-22-19-17(12-21)23-18(24-19)11-8-14-4-2-1-3-5-14/h1-11,22H,13H2/b11-8-
InChIKeyFVKCUBPHNICHNO-FLIBITNWSA-N
MW335.79 g/mol
LogP4.98
Rot. Bonds5

About 5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 98385823) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
PubChem CID98385823
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(/C=C\c2ccccc2)oc1NCc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O/c20-16-9-6-15(7-10-16)13-22-19-17(12-21)23-18(24-19)11-8-14-4-2-1-3-5-14/h1-11,22H,13H2/b11-8-
InChIKeyFVKCUBPHNICHNO-FLIBITNWSA-N
XLogP4.98
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylamino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200328
5-[(4-fluorophenyl)methylamino]-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750753
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
CID 4750534
5-[(4-chlorophenyl)methylamino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 693657
5-(1,3-benzodioxol-5-ylmethylamino)-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 4750525
5-(1,3-benzodioxol-5-ylmethylamino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200360
5-[(2-fluorophenyl)methylamino]-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 18880328
5-(ethylamino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200321
5-[[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-2-[2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 171145904
5-(furan-2-ylmethylamino)-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 4750511
2-[(E)-2-(2-methoxyphenyl)ethenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 6200318
2-[2-(2-methoxyphenyl)ethenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 4750462

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile (CID 98385823) is 5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(/C=C\c2ccccc2)oc1NCc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is FVKCUBPHNICHNO-FLIBITNWSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-16-9-6-15(7-10-16)13-22-19-17(12-21)23-18(24-19)11-8-14-4-2-1-3-5-14/h1-11,22H,13H2/b11-8-.
What are the key properties of 5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile?
5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 335.79 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylamino]-2-[(Z)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 98385823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).