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

C20H17FN2O3 — CID 90503481

IUPAC1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2(c3cc(-c4ccccc4F)on3)CC2)c1
InChIInChI=1S/C20H17FN2O3/c1-25-14-6-4-5-13(11-14)22-19(24)20(9-10-20)18-12-17(26-23-18)15-7-2-3-8-16(15)21/h2-8,11-12H,9-10H2,1H3,(H,22,24)
InChIKeyNEMHSWXWXYWBJT-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.16
Rot. Bonds5

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

1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 90503481) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID90503481
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2(c3cc(-c4ccccc4F)on3)CC2)c1
InChIInChI=1S/C20H17FN2O3/c1-25-14-6-4-5-13(11-14)22-19(24)20(9-10-20)18-12-17(26-23-18)15-7-2-3-8-16(15)21/h2-8,11-12H,9-10H2,1H3,(H,22,24)
InChIKeyNEMHSWXWXYWBJT-UHFFFAOYSA-N
XLogP4.16
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 90503585
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503527
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
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
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide
CID 90503418
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 90503650
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 90503788
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 90503926
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
CID 90503417
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-quinolin-6-ylcyclopropane-1-carboxamide
CID 90503921

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide (CID 90503481) is 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide is COc1cccc(NC(=O)C2(c3cc(-c4ccccc4F)on3)CC2)c1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is NEMHSWXWXYWBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-25-14-6-4-5-13(11-14)22-19(24)20(9-10-20)18-12-17(26-23-18)15-7-2-3-8-16(15)21/h2-8,11-12H,9-10H2,1H3,(H,22,24).
What are the key properties of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90503481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).