N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C19H18ClN3O3 — CID 75405445

IUPACN-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NC(=O)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C19H18ClN3O3/c1-23(2)19(25)14-9-8-13(20)10-15(14)21-18(24)16-11-17(26-22-16)12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3,(H,21,24)
InChIKeyZSNYJQVINQNRIC-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.50
Rot. Bonds4

About N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 75405445) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID75405445
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NC(=O)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C19H18ClN3O3/c1-23(2)19(25)14-9-8-13(20)10-15(14)21-18(24)16-11-17(26-22-16)12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3,(H,21,24)
InChIKeyZSNYJQVINQNRIC-UHFFFAOYSA-N
XLogP3.50
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538959
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525056
5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167979333
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
CID 43737618
2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 66419013
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 79730315
4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758513
4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43737654
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60524951

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 75405445) is N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C1=NOC(c2ccccc2)C1.
What is the InChIKey of N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is ZSNYJQVINQNRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-23(2)19(25)14-9-8-13(20)10-15(14)21-18(24)16-11-17(26-22-16)12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3,(H,21,24).
What are the key properties of N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75405445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).