5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

C20H18N4O2 — CID 56797332

IUPAC5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1Cn1cccn1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C20H18N4O2/c25-20(18-13-19(26-23-18)15-7-2-1-3-8-15)22-17-10-5-4-9-16(17)14-24-12-6-11-21-24/h1-12,19H,13-14H2,(H,22,25)
InChIKeyHUZUXDFLZRNEHI-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.39
Rot. Bonds5

About 5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 56797332) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID56797332
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1Cn1cccn1)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C20H18N4O2/c25-20(18-13-19(26-23-18)15-7-2-1-3-8-15)22-17-10-5-4-9-16(17)14-24-12-6-11-21-24/h1-12,19H,13-14H2,(H,22,25)
InChIKeyHUZUXDFLZRNEHI-UHFFFAOYSA-N
XLogP3.39
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538958
4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687600
(E)-4-oxo-4-[2-(pyrazol-1-ylmethyl)anilino]but-2-enoic acid
CID 60941126
(5R)-N-(6-chloro-2-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 124508168
2-nitro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 43068749
N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide
CID 82906578
7-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide
CID 167834981
5-phenyl-N-(4-propan-2-yl-1,3-oxazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167898515
3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46427586
5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525157
3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64892317
2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79843343

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 56797332) is 5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(Nc1ccccc1Cn1cccn1)C1=NOC(c2ccccc2)C1.
What is the InChIKey of 5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is HUZUXDFLZRNEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-20(18-13-19(26-23-18)15-7-2-1-3-8-15)22-17-10-5-4-9-16(17)14-24-12-6-11-21-24/h1-12,19H,13-14H2,(H,22,25).
What are the key properties of 5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56797332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).