N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide

C23H19N3O3 — CID 139923407

IUPACN-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide
SMILESO=C(C[C@@H]1CC(c2cccnc2)=NO1)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3/c27-22(14-20-13-21(26-29-20)18-7-4-12-24-15-18)25-19-10-8-17(9-11-19)23(28)16-5-2-1-3-6-16/h1-12,15,20H,13-14H2,(H,25,27)/t20-/m0/s1
InChIKeyNEXOTANJHIKHGP-FQEVSTJZSA-N
MW385.42 g/mol
LogP3.83
Rot. Bonds6

About N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide

N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide (PubChem CID 139923407) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide
PubChem CID139923407
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide
SMILESO=C(C[C@@H]1CC(c2cccnc2)=NO1)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3/c27-22(14-20-13-21(26-29-20)18-7-4-12-24-15-18)25-19-10-8-17(9-11-19)23(28)16-5-2-1-3-6-16/h1-12,15,20H,13-14H2,(H,25,27)/t20-/m0/s1
InChIKeyNEXOTANJHIKHGP-FQEVSTJZSA-N
XLogP3.83
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,4-difluorobenzoyl)phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
CID 139923414
N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
CID 139923399
N-[4-(chloro-cyano-phenylmethyl)phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 139923432
N-[4-(azido-cyano-phenylmethyl)phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
CID 139923393
N-[4-[[[2-(4-methylpiperazin-1-yl)acetyl]amino]-phenylmethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
CID 139923405
N-[4-[(2,4-difluorophenyl)-hydroxymethyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
CID 139923397
N-(4-benzylphenyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510700
1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea
CID 1481517
N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510682
(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
1-benzyl-3-propan-2-yl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea
CID 46137998

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide (CID 139923407) is N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide is O=C(C[C@@H]1CC(c2cccnc2)=NO1)Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
The InChIKey is NEXOTANJHIKHGP-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(14-20-13-21(26-29-20)18-7-4-12-24-15-18)25-19-10-8-17(9-11-19)23(28)16-5-2-1-3-6-16/h1-12,15,20H,13-14H2,(H,25,27)/t20-/m0/s1.
What are the key properties of N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-2-[(5S)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 139923407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).