N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide

C21H17FN2O4 — CID 90503527

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1(c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C21H17FN2O4/c22-15-4-2-1-3-14(15)17-12-19(24-28-17)21(7-8-21)20(25)23-13-5-6-16-18(11-13)27-10-9-26-16/h1-6,11-12H,7-10H2,(H,23,25)
InChIKeyWRVRVEWCMSXPRW-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.92
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 90503527) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
PubChem CID90503527
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1(c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C21H17FN2O4/c22-15-4-2-1-3-14(15)17-12-19(24-28-17)21(7-8-21)20(25)23-13-5-6-16-18(11-13)27-10-9-26-16/h1-6,11-12H,7-10H2,(H,23,25)
InChIKeyWRVRVEWCMSXPRW-UHFFFAOYSA-N
XLogP3.92
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503631
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-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 90503481
N-(2,3-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503508
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 90503549
N-(1,3-benzodioxol-5-yl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504429
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-imidazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 90503433
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-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide
CID 90503418
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
1-N'-(2,6-difluorophenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108983718

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide (CID 90503527) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1(c2cc(-c3ccccc3F)on2)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is WRVRVEWCMSXPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c22-15-4-2-1-3-14(15)17-12-19(24-28-17)21(7-8-21)20(25)23-13-5-6-16-18(11-13)27-10-9-26-16/h1-6,11-12H,7-10H2,(H,23,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90503527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).