N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide

C19H18N2O3 — CID 90502927

IUPACN-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(c3cc(-c4ccco4)on3)CC2)c1C
InChIInChI=1S/C19H18N2O3/c1-12-5-3-6-14(13(12)2)20-18(22)19(8-9-19)17-11-16(24-21-17)15-7-4-10-23-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)
InChIKeyCPXTXJLHFJYJEL-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.22
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide

N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 90502927) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
PubChem CID90502927
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(c3cc(-c4ccco4)on3)CC2)c1C
InChIInChI=1S/C19H18N2O3/c1-12-5-3-6-14(13(12)2)20-18(22)19(8-9-19)17-11-16(24-21-17)15-7-4-10-23-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)
InChIKeyCPXTXJLHFJYJEL-UHFFFAOYSA-N
XLogP4.22
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502897
N-(2,1,3-benzothiadiazol-4-yl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90502771
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502967
methyl 2-[[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]thiophene-3-carboxylate
CID 90503043
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 90503022
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-octylcyclopropane-1-carboxamide
CID 90502974
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90503923
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 90502761
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 90504424
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90504519
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 90502766
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90504232

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (CID 90502927) is N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is Cc1cccc(NC(=O)C2(c3cc(-c4ccco4)on3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is CPXTXJLHFJYJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-5-3-6-14(13(12)2)20-18(22)19(8-9-19)17-11-16(24-21-17)15-7-4-10-23-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90502927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).