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

C21H20N4O3 — CID 25313317

IUPACN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)c1nc2cc(C(=O)N(C)Cc3nc(-c4ccccc4)no3)ccc2o1
InChIInChI=1S/C21H20N4O3/c1-13(2)20-22-16-11-15(9-10-17(16)27-20)21(26)25(3)12-18-23-19(24-28-18)14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3
InChIKeyQXKPGYJSZYAQSM-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.27
Rot. Bonds5

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

N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 25313317) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
PubChem CID25313317
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)c1nc2cc(C(=O)N(C)Cc3nc(-c4ccccc4)no3)ccc2o1
InChIInChI=1S/C21H20N4O3/c1-13(2)20-22-16-11-15(9-10-17(16)27-20)21(26)25(3)12-18-23-19(24-28-18)14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3
InChIKeyQXKPGYJSZYAQSM-UHFFFAOYSA-N
XLogP4.27
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,3,4-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6462643
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706328
N,3-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835651
4-methoxy-N-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 7677342
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-chloro-N-methylbenzamide
CID 50874602
2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82289176
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
CID 17275261
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-propan-2-yloxybenzamide
CID 8779213
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2227137

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide (CID 25313317) is N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide is CC(C)c1nc2cc(C(=O)N(C)Cc3nc(-c4ccccc4)no3)ccc2o1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is QXKPGYJSZYAQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13(2)20-22-16-11-15(9-10-17(16)27-20)21(26)25(3)12-18-23-19(24-28-18)14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 25313317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).