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

C22H20ClN3O3 — CID 86903484

IUPACN-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C22H20ClN3O3/c1-2-24-20(27)16-12-15(23)10-11-17(16)25-21(28)18-19(13-8-9-13)29-22(26-18)14-6-4-3-5-7-14/h3-7,10-13H,2,8-9H2,1H3,(H,24,27)(H,25,28)
InChIKeyODZXINXZLCNFJZ-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.87
Rot. Bonds6

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

N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 86903484) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID86903484
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C22H20ClN3O3/c1-2-24-20(27)16-12-15(23)10-11-17(16)25-21(28)18-19(13-8-9-13)29-22(26-18)14-6-4-3-5-7-14/h3-7,10-13H,2,8-9H2,1H3,(H,24,27)(H,25,28)
InChIKeyODZXINXZLCNFJZ-UHFFFAOYSA-N
XLogP4.87
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86840936
5-cyclopropyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86963414
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841284
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841145
N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 111426071
5-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841042
5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride
CID 119770124
5-cyclopropyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 86840963
N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841134
5-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841160
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide
CID 119770119
N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841240

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 86903484) is N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide is CCNC(=O)c1cc(Cl)ccc1NC(=O)c1nc(-c2ccccc2)oc1C1CC1.
What is the InChIKey of N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is ODZXINXZLCNFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-2-24-20(27)16-12-15(23)10-11-17(16)25-21(28)18-19(13-8-9-13)29-22(26-18)14-6-4-3-5-7-14/h3-7,10-13H,2,8-9H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(ethylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86903484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).