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

C17H18N4O3 — CID 95164209

IUPAC5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)no1
InChIInChI=1S/C17H18N4O3/c1-10(2)14(18-16(22)13-9-11(3)23-20-13)17-19-15(21-24-17)12-7-5-4-6-8-12/h4-10,14H,1-3H3,(H,18,22)/t14-/m1/s1
InChIKeyBEEACFKSIAHSKV-CQSZACIVSA-N
MW326.36 g/mol
LogP3.16
Rot. Bonds5

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

5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 95164209) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID95164209
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)no1
InChIInChI=1S/C17H18N4O3/c1-10(2)14(18-16(22)13-9-11(3)23-20-13)17-19-15(21-24-17)12-7-5-4-6-8-12/h4-10,14H,1-3H3,(H,18,22)/t14-/m1/s1
InChIKeyBEEACFKSIAHSKV-CQSZACIVSA-N
XLogP3.16
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 118984655
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
CID 95156422
(1S)-N,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 59361184
2-chloro-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-5-methylsulfanylbenzamide
CID 47078876
5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 172898296
5-(4-bromophenyl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide
CID 110210584
3,5-dichloro-4-ethoxy-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 118984725
2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 83279735
N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
CID 172898229
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
2-bromo-N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 124712245

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide (CID 95164209) is 5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)no1.
What is the InChIKey of 5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BEEACFKSIAHSKV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10(2)14(18-16(22)13-9-11(3)23-20-13)17-19-15(21-24-17)12-7-5-4-6-8-12/h4-10,14H,1-3H3,(H,18,22)/t14-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95164209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).