(5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H11Cl2N3O2 — CID 7085447

IUPAC(5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1
InChIInChI=1S/C15H11Cl2N3O2/c16-11-4-3-9(6-12(11)17)13-7-14(22-20-13)15(21)19-10-2-1-5-18-8-10/h1-6,8,14H,7H2,(H,19,21)/t14-/m1/s1
InChIKeyCRUALRMPHFCKNP-CQSZACIVSA-N
MW336.18 g/mol
LogP3.52
Rot. Bonds3

About (5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 7085447) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is (5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID7085447
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name(5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1
InChIInChI=1S/C15H11Cl2N3O2/c16-11-4-3-9(6-12(11)17)13-7-14(22-20-13)15(21)19-10-2-1-5-18-8-10/h1-6,8,14H,7H2,(H,19,21)/t14-/m1/s1
InChIKeyCRUALRMPHFCKNP-CQSZACIVSA-N
XLogP3.52
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-N-[4-[chloro(phenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 69194040
3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 3158063
(5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 7259902
(5S)-N-[4-[(2-chlorophenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 69194046
(5S)-N-[1-(1-adamantyl)pyrazol-4-yl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40732414
2-phenyl-2-[4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]phenyl]acetyl chloride
CID 86590906
N-(4-benzylphenyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510700
(5S)-3-(3,4-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7259888
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
methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 158928882
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 7085447) is (5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1cccnc1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1.
What is the InChIKey of (5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CRUALRMPHFCKNP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c16-11-4-3-9(6-12(11)17)13-7-14(22-20-13)15(21)19-10-2-1-5-18-8-10/h1-6,8,14H,7H2,(H,19,21)/t14-/m1/s1.
What are the key properties of (5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 336.18 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3,4-dichlorophenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 7085447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).