4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide

C14H18N2O3 — CID 115163065

IUPAC4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide
SMILESCc1nc2cc(CN(C)C(=O)CCCO)ccc2o1
InChIInChI=1S/C14H18N2O3/c1-10-15-12-8-11(5-6-13(12)19-10)9-16(2)14(18)4-3-7-17/h5-6,8,17H,3-4,7,9H2,1-2H3
InChIKeyZKWUFNZHVDCGQP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.87
Rot. Bonds5

About 4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide

4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide (PubChem CID 115163065) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide
PubChem CID115163065
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide
SMILESCc1nc2cc(CN(C)C(=O)CCCO)ccc2o1
InChIInChI=1S/C14H18N2O3/c1-10-15-12-8-11(5-6-13(12)19-10)9-16(2)14(18)4-3-7-17/h5-6,8,17H,3-4,7,9H2,1-2H3
InChIKeyZKWUFNZHVDCGQP-UHFFFAOYSA-N
XLogP1.87
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115153302
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
methyl 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]-2-oxoacetate
CID 115142497
4-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butanoic acid
CID 115218677
2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
CID 115260031
4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115162920
3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol
CID 115134171
4-[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]butan-1-ol
CID 115217706
N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115191348
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115191188
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
3-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 112519384

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide (CID 115163065) is 4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide is Cc1nc2cc(CN(C)C(=O)CCCO)ccc2o1.
What is the InChIKey of 4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide?
The InChIKey is ZKWUFNZHVDCGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-15-12-8-11(5-6-13(12)19-10)9-16(2)14(18)4-3-7-17/h5-6,8,17H,3-4,7,9H2,1-2H3.
What are the key properties of 4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide?
4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide has a molecular weight of 262.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide is sourced from PubChem (CID 115163065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).