3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide

C14H15N3O2 — CID 115173969

IUPAC3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
SMILESCc1nc2cc(CCNC(=O)CCC#N)ccc2o1
InChIInChI=1S/C14H15N3O2/c1-10-17-12-9-11(4-5-13(12)19-10)6-8-16-14(18)3-2-7-15/h4-5,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyLVVVFEBSGZRPNX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.10
Rot. Bonds5

About 3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide

3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide (PubChem CID 115173969) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
PubChem CID115173969
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
SMILESCc1nc2cc(CCNC(=O)CCC#N)ccc2o1
InChIInChI=1S/C14H15N3O2/c1-10-17-12-9-11(4-5-13(12)19-10)6-8-16-14(18)3-2-7-15/h4-5,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyLVVVFEBSGZRPNX-UHFFFAOYSA-N
XLogP2.10
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390565
N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 110707517
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110707496
2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110707532
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110707465
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
3-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]propanenitrile
CID 115230914
3-cyano-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173971
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide
CID 94685245
3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
CID 110791042

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide (CID 115173969) is 3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide is Cc1nc2cc(CCNC(=O)CCC#N)ccc2o1.
What is the InChIKey of 3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide?
The InChIKey is LVVVFEBSGZRPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-17-12-9-11(4-5-13(12)19-10)6-8-16-14(18)3-2-7-15/h4-5,9H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of 3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide?
3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide has a molecular weight of 257.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 115173969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).