N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide

C19H13Cl2FN2O2 — CID 90503508

IUPACN-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1(c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C19H13Cl2FN2O2/c20-12-5-3-7-14(17(12)21)23-18(25)19(8-9-19)16-10-15(26-24-16)11-4-1-2-6-13(11)22/h1-7,10H,8-9H2,(H,23,25)
InChIKeyOVLDTHGSVADYSA-UHFFFAOYSA-N
MW391.23 g/mol
LogP5.46
Rot. Bonds4

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

N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 90503508) has the molecular formula C19H13Cl2FN2O2 and a molecular weight of 391.23 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
PubChem CID90503508
Molecular FormulaC19H13Cl2FN2O2
Molecular Weight391.23 g/mol
Exact Mass390.03
IUPAC NameN-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1(c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C19H13Cl2FN2O2/c20-12-5-3-7-14(17(12)21)23-18(25)19(8-9-19)16-10-15(26-24-16)11-4-1-2-6-13(11)22/h1-7,10H,8-9H2,(H,23,25)
InChIKeyOVLDTHGSVADYSA-UHFFFAOYSA-N
XLogP5.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.23
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 90503552
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 90503481
N-(4-cyanophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503631
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503527
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 90503549
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide
CID 90503646
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 90503613
N-(2-methylsulfanylphenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503194
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide
CID 90503418
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide
CID 90503457
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
CID 90503417
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 90504424

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (CID 90503508) is N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1cccc(Cl)c1Cl)C1(c2cc(-c3ccccc3F)on2)CC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is OVLDTHGSVADYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN2O2/c20-12-5-3-7-14(17(12)21)23-18(25)19(8-9-19)16-10-15(26-24-16)11-4-1-2-6-13(11)22/h1-7,10H,8-9H2,(H,23,25).
What are the key properties of N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 391.23 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90503508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).