3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide

C21H24N2O2 — CID 23766038

IUPAC3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1cccc(-c2nc3cc(C(C)C)ccc3o2)c1
InChIInChI=1S/C21H24N2O2/c1-13(2)10-20(24)22-17-7-5-6-16(11-17)21-23-18-12-15(14(3)4)8-9-19(18)25-21/h5-9,11-14H,10H2,1-4H3,(H,22,24)
InChIKeyABPFTDNCQDEMOO-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.60
Rot. Bonds5

About 3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide

3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide (PubChem CID 23766038) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide
PubChem CID23766038
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1cccc(-c2nc3cc(C(C)C)ccc3o2)c1
InChIInChI=1S/C21H24N2O2/c1-13(2)10-20(24)22-17-7-5-6-16(11-17)21-23-18-12-15(14(3)4)8-9-19(18)25-21/h5-9,11-14H,10H2,1-4H3,(H,22,24)
InChIKeyABPFTDNCQDEMOO-UHFFFAOYSA-N
XLogP5.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 9185231
N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-3-methylbutanamide
CID 40598606
2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2286309
3-methyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 23965037
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]hexanamide
CID 40600443
4-ethyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 15987513
2-(2-nitrophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 23827426
2,4-dichloro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2269192
3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 7325876
N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 27235892
2-nitro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1326830
N-[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5065867

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide (CID 23766038) is 3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide is CC(C)CC(=O)Nc1cccc(-c2nc3cc(C(C)C)ccc3o2)c1.
What is the InChIKey of 3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The InChIKey is ABPFTDNCQDEMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-13(2)10-20(24)22-17-7-5-6-16(11-17)21-23-18-12-15(14(3)4)8-9-19(18)25-21/h5-9,11-14H,10H2,1-4H3,(H,22,24).
What are the key properties of 3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide?
3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide has a molecular weight of 336.44 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 23766038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).