2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile

C23H18N4O2 — CID 664349

IUPAC2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCc1cccnc1
InChIInChI=1S/C23H18N4O2/c24-13-21-23(26-15-18-7-4-12-25-14-18)29-22(27-21)19-8-10-20(11-9-19)28-16-17-5-2-1-3-6-17/h1-12,14,26H,15-16H2
InChIKeyZIOZCHIGHDNIKG-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.80
Rot. Bonds7

About 2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile

2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 664349) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID664349
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCc1cccnc1
InChIInChI=1S/C23H18N4O2/c24-13-21-23(26-15-18-7-4-12-25-14-18)29-22(27-21)19-8-10-20(11-9-19)28-16-17-5-2-1-3-6-17/h1-12,14,26H,15-16H2
InChIKeyZIOZCHIGHDNIKG-UHFFFAOYSA-N
XLogP4.80
TPSA83.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile (CID 664349) is 2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCc1cccnc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is ZIOZCHIGHDNIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c24-13-21-23(26-15-18-7-4-12-25-14-18)29-22(27-21)19-8-10-20(11-9-19)28-16-17-5-2-1-3-6-17/h1-12,14,26H,15-16H2.
What are the key properties of 2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile?
2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 382.42 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).