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

C19H23FN2O3 — CID 90503417

IUPAC1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
SMILESCC(C)OCCCNC(=O)C1(c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C19H23FN2O3/c1-13(2)24-11-5-10-21-18(23)19(8-9-19)17-12-16(25-22-17)14-6-3-4-7-15(14)20/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,21,23)
InChIKeyPISPAMKKYJZECX-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.44
Rot. Bonds8

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

1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide (PubChem CID 90503417) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
PubChem CID90503417
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
SMILESCC(C)OCCCNC(=O)C1(c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C19H23FN2O3/c1-13(2)24-11-5-10-21-18(23)19(8-9-19)17-12-16(25-22-17)14-6-3-4-7-15(14)20/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,21,23)
InChIKeyPISPAMKKYJZECX-UHFFFAOYSA-N
XLogP3.44
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
N-(4-cyanophenyl)-1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503631
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 90503716
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-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 90504543
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-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide
CID 90503646
5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 99600147
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-octylcyclopropane-1-carboxamide
CID 90502974

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide (CID 90503417) is 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide is CC(C)OCCCNC(=O)C1(c2cc(-c3ccccc3F)on2)CC1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide?
The InChIKey is PISPAMKKYJZECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-13(2)24-11-5-10-21-18(23)19(8-9-19)17-12-16(25-22-17)14-6-3-4-7-15(14)20/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,21,23).
What are the key properties of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide?
1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 3.44, 8 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-propan-2-yloxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90503417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).