N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide

C19H16ClN3O4 — CID 55839867

IUPACN-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)CCOc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1
InChIInChI=1S/C19H16ClN3O4/c20-13-3-1-2-12(10-13)17-11-16(23-27-17)19(25)22-14-4-6-15(7-5-14)26-9-8-18(21)24/h1-7,10-11H,8-9H2,(H2,21,24)(H,22,25)
InChIKeyLWYCYQGPPXOYHY-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.50
Rot. Bonds7

About N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide

N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 55839867) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID55839867
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC NameN-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)CCOc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1
InChIInChI=1S/C19H16ClN3O4/c20-13-3-1-2-12(10-13)17-11-16(23-27-17)19(25)22-14-4-6-15(7-5-14)26-9-8-18(21)24/h1-7,10-11H,8-9H2,(H2,21,24)(H,22,25)
InChIKeyLWYCYQGPPXOYHY-UHFFFAOYSA-N
XLogP3.50
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37341737
5-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638985
N-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethyl]-3-chlorobenzamide
CID 55839601
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 55991496
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 37340877
5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417352
N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119630177
3-(3-chlorophenoxy)propanamide
CID 23512799
5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098517
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
5-(4-butoxyphenyl)-N-(4-methylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 171691982

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 55839867) is N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide is NC(=O)CCOc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1.
What is the InChIKey of N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LWYCYQGPPXOYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c20-13-3-1-2-12(10-13)17-11-16(23-27-17)19(25)22-14-4-6-15(7-5-14)26-9-8-18(21)24/h1-7,10-11H,8-9H2,(H2,21,24)(H,22,25).
What are the key properties of N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 385.81 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropoxy)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55839867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).