N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide

C15H18N2O3 — CID 58951502

IUPACN-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide
SMILESCC(C)C(=O)N(C(=O)C(C)C)c1noc2ccccc12
InChIInChI=1S/C15H18N2O3/c1-9(2)14(18)17(15(19)10(3)4)13-11-7-5-6-8-12(11)20-16-13/h5-10H,1-4H3
InChIKeyPMMGYYYWWKTJRR-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.00
Rot. Bonds3

About N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide

N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide (PubChem CID 58951502) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide
PubChem CID58951502
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide
SMILESCC(C)C(=O)N(C(=O)C(C)C)c1noc2ccccc12
InChIInChI=1S/C15H18N2O3/c1-9(2)14(18)17(15(19)10(3)4)13-11-7-5-6-8-12(11)20-16-13/h5-10H,1-4H3
InChIKeyPMMGYYYWWKTJRR-UHFFFAOYSA-N
XLogP3.00
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine
CID 83832884
1,2-benzoxazol-3-yl N,N-dimethylcarbamate
CID 2726312
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985277
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572973
2-(1,2-benzoxazol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113337577
N-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-1,2-benzoxazol-3-amine
CID 170972748
2-(1,2-benzoxazol-3-ylamino)propanoic acid
CID 69119449
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 119585056
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039197
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-butan-2-ylamino]acetic acid
CID 60828052
2-(1,2-benzoxazol-3-ylamino)-2,3-dimethylbutanamide
CID 112738273

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide (CID 58951502) is N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide is CC(C)C(=O)N(C(=O)C(C)C)c1noc2ccccc12.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide?
The InChIKey is PMMGYYYWWKTJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)14(18)17(15(19)10(3)4)13-11-7-5-6-8-12(11)20-16-13/h5-10H,1-4H3.
What are the key properties of N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide?
N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide has a molecular weight of 274.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)-2-methyl-N-(2-methylpropanoyl)propanamide is sourced from PubChem (CID 58951502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).