2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide

C21H26N4O3 — CID 72904518

IUPAC2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCCCc1noc(CN(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)n1
InChIInChI=1S/C21H26N4O3/c1-3-7-18-23-19(28-24-18)13-25(2)21(26)15-10-11-16-17(12-15)27-20(22-16)14-8-5-4-6-9-14/h10-12,14H,3-9,13H2,1-2H3
InChIKeyAUJASMSQFOJUJB-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.48
Rot. Bonds6

About 2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide

2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 72904518) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID72904518
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCCCc1noc(CN(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)n1
InChIInChI=1S/C21H26N4O3/c1-3-7-18-23-19(28-24-18)13-25(2)21(26)15-10-11-16-17(12-15)27-20(22-16)14-8-5-4-6-9-14/h10-12,14H,3-9,13H2,1-2H3
InChIKeyAUJASMSQFOJUJB-UHFFFAOYSA-N
XLogP4.48
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide
CID 26315578
2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
CID 42195933
1-ethyl-N-methyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-carboxamide
CID 131943602
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 45179366
2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid
CID 54270263
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide
CID 53055562
1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299964
2-cyclohexyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1,3-benzoxazole-6-carboxamide
CID 72859517
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 29027206
3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 118788203

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide (CID 72904518) is 2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide is CCCc1noc(CN(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)n1.
What is the InChIKey of 2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is AUJASMSQFOJUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-7-18-23-19(28-24-18)13-25(2)21(26)15-10-11-16-17(12-15)27-20(22-16)14-8-5-4-6-9-14/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide?
2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 72904518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).