3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide

C11H10N2O2 — CID 169481951

IUPAC3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide
SMILESCc1nc2cc(C=CC(N)=O)ccc2o1
InChIInChI=1S/C11H10N2O2/c1-7-13-9-6-8(3-5-11(12)14)2-4-10(9)15-7/h2-6H,1H3,(H2,12,14)
InChIKeyCUQCAFBEJHGPPI-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.63
Rot. Bonds2

About 3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide

3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide (PubChem CID 169481951) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide
PubChem CID169481951
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide
SMILESCc1nc2cc(C=CC(N)=O)ccc2o1
InChIInChI=1S/C11H10N2O2/c1-7-13-9-6-8(3-5-11(12)14)2-4-10(9)15-7/h2-6H,1H3,(H2,12,14)
InChIKeyCUQCAFBEJHGPPI-UHFFFAOYSA-N
XLogP1.63
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-1,3-benzoxazol-6-yl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 110494476
ethyl 4-(2-methyl-1,3-benzoxazol-6-yl)but-3-enoate
CID 170796348
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 9490512
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
2-methyl-1,3-benzoxazole-5-sulfonamide
CID 43173624
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237
(E)-3-[2-(cyanomethyl)-1,3-benzoxazol-5-yl]prop-2-enoic acid
CID 118820251
2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 116850890
3-quinazolin-7-ylprop-2-enamide
CID 54137303
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 26665909
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide?
The IUPAC name of 3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide (CID 169481951) is 3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide?
The canonical SMILES for 3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide is Cc1nc2cc(C=CC(N)=O)ccc2o1.
What is the InChIKey of 3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide?
The InChIKey is CUQCAFBEJHGPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-13-9-6-8(3-5-11(12)14)2-4-10(9)15-7/h2-6H,1H3,(H2,12,14).
What are the key properties of 3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide?
3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide has a molecular weight of 202.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide is sourced from PubChem (CID 169481951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).