2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide

C14H15N3O2 — CID 116829500

IUPAC2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide
SMILESCc1nc2ccc(C(C)(C)NC(=O)CC#N)cc2o1
InChIInChI=1S/C14H15N3O2/c1-9-16-11-5-4-10(8-12(11)19-9)14(2,3)17-13(18)6-7-15/h4-5,8H,6H2,1-3H3,(H,17,18)
InChIKeyHDNQYJKFWLEGIQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.40
Rot. Bonds3

About 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide

2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide (PubChem CID 116829500) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide
PubChem CID116829500
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide
SMILESCc1nc2ccc(C(C)(C)NC(=O)CC#N)cc2o1
InChIInChI=1S/C14H15N3O2/c1-9-16-11-5-4-10(8-12(11)19-9)14(2,3)17-13(18)6-7-15/h4-5,8H,6H2,1-3H3,(H,17,18)
InChIKeyHDNQYJKFWLEGIQ-UHFFFAOYSA-N
XLogP2.40
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide
CID 116829529
N-[2-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)propyl]carbamoyl bromide
CID 115194279
4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide
CID 86921847
2-(2-methyl-1,3-benzoxazol-6-yl)propane-2-thiol
CID 116866628
2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
CID 82403969
2,2-dimethyl-3-(2-methyl-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116918123
2-(2-methyl-1,3-benzoxazole-6-carbonyl)butanenitrile
CID 116923733
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 110894504
2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide
CID 86921843
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide (CID 116829500) is 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide is Cc1nc2ccc(C(C)(C)NC(=O)CC#N)cc2o1.
What is the InChIKey of 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide?
The InChIKey is HDNQYJKFWLEGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-16-11-5-4-10(8-12(11)19-9)14(2,3)17-13(18)6-7-15/h4-5,8H,6H2,1-3H3,(H,17,18).
What are the key properties of 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide?
2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide has a molecular weight of 257.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-yl]acetamide is sourced from PubChem (CID 116829500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).