N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide

C25H22N4O3 — CID 72717054

IUPACN-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCCC(c2ccccc2)c2ccccc2)co1)c1ccncc1
InChIInChI=1S/C25H22N4O3/c30-23(20-11-14-26-15-12-20)29-25-28-22(17-32-25)24(31)27-16-13-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14-15,17,21H,13,16H2,(H,27,31)(H,28,29,30)
InChIKeyMCPOGUNDOKXKCM-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.27
Rot. Bonds8

About N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide

N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 72717054) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID72717054
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCCC(c2ccccc2)c2ccccc2)co1)c1ccncc1
InChIInChI=1S/C25H22N4O3/c30-23(20-11-14-26-15-12-20)29-25-28-22(17-32-25)24(31)27-16-13-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14-15,17,21H,13,16H2,(H,27,31)(H,28,29,30)
InChIKeyMCPOGUNDOKXKCM-UHFFFAOYSA-N
XLogP4.27
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 156906461
CID 156906461
CID 44278391
CID 44278391
CID 156906471
CID 156906471
CID 156906391
CID 156906391
CID 156906392
CID 156906392
CID 156906406
CID 156906406
CID 156906468
CID 156906468
CID 156906469
CID 156906469
CID 156906475
CID 156906475
CID 156906591
CID 156906591
CID 156906605
CID 156906605
CID 156906612
CID 156906612

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide (CID 72717054) is N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(Nc1nc(C(=O)NCCC(c2ccccc2)c2ccccc2)co1)c1ccncc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is MCPOGUNDOKXKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-23(20-11-14-26-15-12-20)29-25-28-22(17-32-25)24(31)27-16-13-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14-15,17,21H,13,16H2,(H,27,31)(H,28,29,30).
What are the key properties of N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72717054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).