3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H22N4O2 — CID 46954587

IUPAC3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1cc(C2=NOC(C(=O)NC3(c4ccccc4)CCCC3)C2)cn1
InChIInChI=1S/C19H22N4O2/c1-23-13-14(12-20-23)16-11-17(25-22-16)18(24)21-19(9-5-6-10-19)15-7-3-2-4-8-15/h2-4,7-8,12-13,17H,5-6,9-11H2,1H3,(H,21,24)
InChIKeyBYDCAOPBOHVBNT-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.50
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 46954587) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID46954587
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1cc(C2=NOC(C(=O)NC3(c4ccccc4)CCCC3)C2)cn1
InChIInChI=1S/C19H22N4O2/c1-23-13-14(12-20-23)16-11-17(25-22-16)18(24)21-19(9-5-6-10-19)15-7-3-2-4-8-15/h2-4,7-8,12-13,17H,5-6,9-11H2,1H3,(H,21,24)
InChIKeyBYDCAOPBOHVBNT-UHFFFAOYSA-N
XLogP2.50
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 46954587) is 3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cn1cc(C2=NOC(C(=O)NC3(c4ccccc4)CCCC3)C2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BYDCAOPBOHVBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-23-13-14(12-20-23)16-11-17(25-22-16)18(24)21-19(9-5-6-10-19)15-7-3-2-4-8-15/h2-4,7-8,12-13,17H,5-6,9-11H2,1H3,(H,21,24).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(1-phenylcyclopentyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46954587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).