1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide

C20H17FN2O2 — CID 90503457

IUPAC1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(c2cc(-c3ccccc3F)on2)CC1)c1ccccc1
InChIInChI=1S/C20H17FN2O2/c1-23(14-7-3-2-4-8-14)19(24)20(11-12-20)18-13-17(25-22-18)15-9-5-6-10-16(15)21/h2-10,13H,11-12H2,1H3
InChIKeyGOZGOCONCAYVDD-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.18
Rot. Bonds4

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

1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide (PubChem CID 90503457) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide
PubChem CID90503457
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(c2cc(-c3ccccc3F)on2)CC1)c1ccccc1
InChIInChI=1S/C20H17FN2O2/c1-23(14-7-3-2-4-8-14)19(24)20(11-12-20)18-13-17(25-22-18)15-9-5-6-10-16(15)21/h2-10,13H,11-12H2,1H3
InChIKeyGOZGOCONCAYVDD-UHFFFAOYSA-N
XLogP4.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503396
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-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 90503552
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-(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-dichlorophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503508
5-(2-fluorophenyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 37338212
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
CID 90503417
[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 90503589
[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 90503585

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide (CID 90503457) is 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide is CN(C(=O)C1(c2cc(-c3ccccc3F)on2)CC1)c1ccccc1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide?
The InChIKey is GOZGOCONCAYVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-23(14-7-3-2-4-8-14)19(24)20(11-12-20)18-13-17(25-22-18)15-9-5-6-10-16(15)21/h2-10,13H,11-12H2,1H3.
What are the key properties of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide?
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 90503457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).