N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide

C21H24N2O2 — CID 54857862

IUPACN-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Cc2nc3cc(C)cc(C)c3o2)cc1
InChIInChI=1S/C21H24N2O2/c1-4-5-6-19(24)22-17-9-7-16(8-10-17)13-20-23-18-12-14(2)11-15(3)21(18)25-20/h7-12H,4-6,13H2,1-3H3,(H,22,24)
InChIKeyBSYMXYMQSASPRC-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.16
Rot. Bonds6

About N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide

N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide (PubChem CID 54857862) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide
PubChem CID54857862
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Cc2nc3cc(C)cc(C)c3o2)cc1
InChIInChI=1S/C21H24N2O2/c1-4-5-6-19(24)22-17-9-7-16(8-10-17)13-20-23-18-12-14(2)11-15(3)21(18)25-20/h7-12H,4-6,13H2,1-3H3,(H,22,24)
InChIKeyBSYMXYMQSASPRC-UHFFFAOYSA-N
XLogP5.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]pentanamide
CID 54859496
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide
CID 54858483
2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858688
N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-3-methylbenzamide
CID 54859479
N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 54859309
4-chloro-N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]benzamide
CID 54859406
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide
CID 54858052
2-(2-bromo-4,6-dimethylphenoxy)-N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]acetamide
CID 54859402
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide
CID 3285271
2-(2,4-dichloro-6-methylphenoxy)-N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]acetamide
CID 54859403
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]hexanamide
CID 7123546

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide?
The IUPAC name of N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide (CID 54857862) is N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(Cc2nc3cc(C)cc(C)c3o2)cc1.
What is the InChIKey of N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide?
The InChIKey is BSYMXYMQSASPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-5-6-19(24)22-17-9-7-16(8-10-17)13-20-23-18-12-14(2)11-15(3)21(18)25-20/h7-12H,4-6,13H2,1-3H3,(H,22,24).
What are the key properties of N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide?
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide has a molecular weight of 336.44 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide is sourced from PubChem (CID 54857862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).