N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide

C23H21N3O3 — CID 90722641

IUPACN-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(C(CO)c2ccccc2)cc1)C1C=C(c2cccnc2)NO1
InChIInChI=1S/C23H21N3O3/c27-15-20(16-5-2-1-3-6-16)17-8-10-19(11-9-17)25-23(28)22-13-21(26-29-22)18-7-4-12-24-14-18/h1-14,20,22,26-27H,15H2,(H,25,28)
InChIKeyOMALKUIKXMZPNR-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.09
Rot. Bonds6

About N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide

N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 90722641) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID90722641
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(C(CO)c2ccccc2)cc1)C1C=C(c2cccnc2)NO1
InChIInChI=1S/C23H21N3O3/c27-15-20(16-5-2-1-3-6-16)17-8-10-19(11-9-17)25-23(28)22-13-21(26-29-22)18-7-4-12-24-14-18/h1-14,20,22,26-27H,15H2,(H,25,28)
InChIKeyOMALKUIKXMZPNR-UHFFFAOYSA-N
XLogP3.09
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

(5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 91198422
N-[4-[ethylamino(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 91040675
N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 90873632
3-cyano-3-phenyl-3-[4-[(3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 90913968
N-[4-(chloro-cyano-phenylmethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 91175450
N'-hydroxy-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboximidamide
CID 57265822
(5S)-N-[4-[chloro(phenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 69194040
2-phenyl-2-[4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]phenyl]acetyl chloride
CID 86590906
2,2-dipyridin-3-ylethanol
CID 57450821
3-phenyl-5-pyridin-3-yl-2,5-dihydro-1,2-oxazole
CID 91578550
formamido 2-[2-methyl-4-(3-pyridin-3-yl-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-2-phenylacetate
CID 57050331
N-(4-benzylphenyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510700

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide (CID 90722641) is N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(C(CO)c2ccccc2)cc1)C1C=C(c2cccnc2)NO1.
What is the InChIKey of N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OMALKUIKXMZPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-15-20(16-5-2-1-3-6-16)17-8-10-19(11-9-17)25-23(28)22-13-21(26-29-22)18-7-4-12-24-14-18/h1-14,20,22,26-27H,15H2,(H,25,28).
What are the key properties of N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90722641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).