2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide

C16H16N4O3 — CID 50755040

IUPAC2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1nc(CNC(=O)c2coc(-c3ccccc3)n2)no1
InChIInChI=1S/C16H16N4O3/c1-10(2)15-19-13(20-23-15)8-17-14(21)12-9-22-16(18-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,21)
InChIKeyRFALLNITOXBBRS-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.78
Rot. Bonds5

About 2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide

2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 50755040) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID50755040
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1nc(CNC(=O)c2coc(-c3ccccc3)n2)no1
InChIInChI=1S/C16H16N4O3/c1-10(2)15-19-13(20-23-15)8-17-14(21)12-9-22-16(18-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,21)
InChIKeyRFALLNITOXBBRS-UHFFFAOYSA-N
XLogP2.78
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 50755014
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 92903025
2-methyl-3-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cycloprop-2-ene-1-carboxamide
CID 131903974
N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120651572
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 111437218
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-indazole-3-carboxamide
CID 86285787
3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207123
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721
2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 5165501
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide
CID 51098204
methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide (CID 50755040) is 2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide is CC(C)c1nc(CNC(=O)c2coc(-c3ccccc3)n2)no1.
What is the InChIKey of 2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RFALLNITOXBBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10(2)15-19-13(20-23-15)8-17-14(21)12-9-22-16(18-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,21).
What are the key properties of 2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide?
2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 50755040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).