N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H21FN4O2 — CID 46963773

IUPACN-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1cc(C2=NOC(C(=O)NC3(c4cccc(F)c4)CCCC3)C2)cn1
InChIInChI=1S/C19H21FN4O2/c1-24-12-13(11-21-24)16-10-17(26-23-16)18(25)22-19(7-2-3-8-19)14-5-4-6-15(20)9-14/h4-6,9,11-12,17H,2-3,7-8,10H2,1H3,(H,22,25)
InChIKeyQXNJUPOMUSPAGS-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.64
Rot. Bonds4

About N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 46963773) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID46963773
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1cc(C2=NOC(C(=O)NC3(c4cccc(F)c4)CCCC3)C2)cn1
InChIInChI=1S/C19H21FN4O2/c1-24-12-13(11-21-24)16-10-17(26-23-16)18(25)22-19(7-2-3-8-19)14-5-4-6-15(20)9-14/h4-6,9,11-12,17H,2-3,7-8,10H2,1H3,(H,22,25)
InChIKeyQXNJUPOMUSPAGS-UHFFFAOYSA-N
XLogP2.64
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 46963773) is N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cn1cc(C2=NOC(C(=O)NC3(c4cccc(F)c4)CCCC3)C2)cn1.
What is the InChIKey of N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QXNJUPOMUSPAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-24-12-13(11-21-24)16-10-17(26-23-16)18(25)22-19(7-2-3-8-19)14-5-4-6-15(20)9-14/h4-6,9,11-12,17H,2-3,7-8,10H2,1H3,(H,22,25).
What are the key properties of N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46963773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).