N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C18H16ClN3O4 — CID 55992014

IUPACN-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C18H16ClN3O4/c1-10(2)20-17(23)12-6-5-11(19)8-13(12)21-18(24)14-9-16(26-22-14)15-4-3-7-25-15/h3-10H,1-2H3,(H,20,23)(H,21,24)
InChIKeyPRKUAWCINWAMON-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.98
Rot. Bonds5

About N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 55992014) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID55992014
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C18H16ClN3O4/c1-10(2)20-17(23)12-6-5-11(19)8-13(12)21-18(24)14-9-16(26-22-14)15-4-3-7-25-15/h3-10H,1-2H3,(H,20,23)(H,21,24)
InChIKeyPRKUAWCINWAMON-UHFFFAOYSA-N
XLogP3.98
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 60618944
5-(furan-2-yl)-N-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 24739268
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904
N-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 24663728
(2S)-2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 61136607
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 43356526
2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 119283724
N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 15995144
N-(3,4-dimethylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3244522
5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide
CID 24663749
5-(furan-2-yl)-N-(2-methoxypyrimidin-5-yl)-1,2-oxazole-3-carboxamide
CID 122301502

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 55992014) is N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is PRKUAWCINWAMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-10(2)20-17(23)12-6-5-11(19)8-13(12)21-18(24)14-9-16(26-22-14)15-4-3-7-25-15/h3-10H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 373.80 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55992014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).