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

C19H21FN4O2 — CID 46963792

IUPACN-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1cc(C2=NOC(C(=O)NC3(c4ccccc4F)CCCC3)C2)cn1
InChIInChI=1S/C19H21FN4O2/c1-24-12-13(11-21-24)16-10-17(26-23-16)18(25)22-19(8-4-5-9-19)14-6-2-3-7-15(14)20/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3,(H,22,25)
InChIKeyWCQHHORXAGKWAI-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.64
Rot. Bonds4

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

N-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 46963792) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID46963792
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1cc(C2=NOC(C(=O)NC3(c4ccccc4F)CCCC3)C2)cn1
InChIInChI=1S/C19H21FN4O2/c1-24-12-13(11-21-24)16-10-17(26-23-16)18(25)22-19(8-4-5-9-19)14-6-2-3-7-15(14)20/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3,(H,22,25)
InChIKeyWCQHHORXAGKWAI-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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Related Compounds

3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5307998
N-benzyl-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide
CID 3241275
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3242359
3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5307827
Ispa-28
CID 17095977
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5308948
3-(1-ethyl-5-methylpyrazol-4-yl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 9550707
3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46954587
N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46963773
3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6623120
N-(2,4-difluorophenyl)-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095978
N-benzyl-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45106313

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 46963792) is N-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cn1cc(C2=NOC(C(=O)NC3(c4ccccc4F)CCCC3)C2)cn1.
What is the InChIKey of N-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WCQHHORXAGKWAI-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(8-4-5-9-19)14-6-2-3-7-15(14)20/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3,(H,22,25).
What are the key properties of N-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[1-(2-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-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46963792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).