(E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide

C19H17N3O2 — CID 51092375

IUPAC(E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCc1nc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)oc1C
InChIInChI=1S/C19H17N3O2/c1-13-14(2)24-19(21-13)16-6-8-17(9-7-16)22-18(23)10-5-15-4-3-11-20-12-15/h3-12H,1-2H3,(H,22,23)/b10-5+
InChIKeyYEBXJMOVDJFCNX-BJMVGYQFSA-N
MW319.36 g/mol
LogP4.01
Rot. Bonds4

About (E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 51092375) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID51092375
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCc1nc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)oc1C
InChIInChI=1S/C19H17N3O2/c1-13-14(2)24-19(21-13)16-6-8-17(9-7-16)22-18(23)10-5-15-4-3-11-20-12-15/h3-12H,1-2H3,(H,22,23)/b10-5+
InChIKeyYEBXJMOVDJFCNX-BJMVGYQFSA-N
XLogP4.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 77003813
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 5022157
(E)-N-[4-(cyanomethyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38072631
N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 123684252
2-hydroxy-4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid
CID 43358291
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 74659842
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38160719
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 171152896
(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 97376539

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide (CID 51092375) is (E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide is Cc1nc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)oc1C.
What is the InChIKey of (E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is YEBXJMOVDJFCNX-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-14(2)24-19(21-13)16-6-8-17(9-7-16)22-18(23)10-5-15-4-3-11-20-12-15/h3-12H,1-2H3,(H,22,23)/b10-5+.
What are the key properties of (E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 319.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 51092375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).