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

C17H19FN2O3 — CID 90503418

IUPAC1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide
SMILESCOCC(C)NC(=O)C1(c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C17H19FN2O3/c1-11(10-22-2)19-16(21)17(7-8-17)15-9-14(23-20-15)12-5-3-4-6-13(12)18/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,21)
InChIKeyBOZAFPOPUUEXOQ-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.66
Rot. Bonds6

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

1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide (PubChem CID 90503418) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide
PubChem CID90503418
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide
SMILESCOCC(C)NC(=O)C1(c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C17H19FN2O3/c1-11(10-22-2)19-16(21)17(7-8-17)15-9-14(23-20-15)12-5-3-4-6-13(12)18/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,21)
InChIKeyBOZAFPOPUUEXOQ-UHFFFAOYSA-N
XLogP2.66
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 90503481
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-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 90503549
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-(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
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-methyl-N-phenylcyclopropane-1-carboxamide
CID 90503457
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-imidazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 90503433
(4-benzylpiperazin-1-yl)-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503396

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide (CID 90503418) is 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide is COCC(C)NC(=O)C1(c2cc(-c3ccccc3F)on2)CC1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is BOZAFPOPUUEXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11(10-22-2)19-16(21)17(7-8-17)15-9-14(23-20-15)12-5-3-4-6-13(12)18/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,21).
What are the key properties of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide?
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.66, 6 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-(1-methoxypropan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90503418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).