2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide

C19H18N2O2 — CID 38283022

IUPAC2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide
SMILESO=C(Cc1noc2ccccc12)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C19H18N2O2/c22-19(12-17-16-8-4-5-9-18(16)23-20-17)21(15-10-11-15)13-14-6-2-1-3-7-14/h1-9,15H,10-13H2
InChIKeyJDEDTDSOYLSVPV-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.56
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide

2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide (PubChem CID 38283022) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide
PubChem CID38283022
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide
SMILESO=C(Cc1noc2ccccc12)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C19H18N2O2/c22-19(12-17-16-8-4-5-9-18(16)23-20-17)21(15-10-11-15)13-14-6-2-1-3-7-14/h1-9,15H,10-13H2
InChIKeyJDEDTDSOYLSVPV-UHFFFAOYSA-N
XLogP3.56
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
CID 22519666
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide
CID 78855126
N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide
CID 66182098
N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 79113125
2-(1,2-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63300924
2-(1,2-benzoxazol-3-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119444392
N-benzyl-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 71935827
3-(1,2-benzoxazol-3-ylmethyl)-1-benzyl-1-methylurea
CID 46274750
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 155501677
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947
N-cyclopropyl-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
CID 155768569
2-(1,2-benzoxazol-3-yl)-N,N-bis(2-methoxyethyl)acetamide
CID 86907964

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide (CID 38283022) is 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide is O=C(Cc1noc2ccccc12)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide?
The InChIKey is JDEDTDSOYLSVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(12-17-16-8-4-5-9-18(16)23-20-17)21(15-10-11-15)13-14-6-2-1-3-7-14/h1-9,15H,10-13H2.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide?
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide has a molecular weight of 306.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide is sourced from PubChem (CID 38283022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).