N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide

C12H14N2O4 — CID 15441221

IUPACN-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide
SMILESCOC(CNC(=O)c1nc2ccccc2o1)OC
InChIInChI=1S/C12H14N2O4/c1-16-10(17-2)7-13-11(15)12-14-8-5-3-4-6-9(8)18-12/h3-6,10H,7H2,1-2H3,(H,13,15)
InChIKeyYDZJUGFCZIKAIF-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.18
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide

N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide (PubChem CID 15441221) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide
PubChem CID15441221
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide
SMILESCOC(CNC(=O)c1nc2ccccc2o1)OC
InChIInChI=1S/C12H14N2O4/c1-16-10(17-2)7-13-11(15)12-14-8-5-3-4-6-9(8)18-12/h3-6,10H,7H2,1-2H3,(H,13,15)
InChIKeyYDZJUGFCZIKAIF-UHFFFAOYSA-N
XLogP1.18
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutyl]-1,3-benzoxazole-2-carboxamide
CID 69484464
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate
CID 67445136
1-nitroethyl 1,3-benzoxazole-2-carboxylate
CID 169101899
(2Z)-N-(3-acetamido-2-hydroxypropoxy)-1,3-benzoxazole-2-carboximidoyl chloride
CID 45267339
N-(4,6-diaminopyrimidin-5-yl)-1,3-benzoxazole-2-carboxamide
CID 138740832
2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-one
CID 70077251
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
CID 110464548
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
(Z)-4-(1,3-benzoxazol-2-yl)hex-4-en-3-one
CID 123987728
N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide
CID 60653057

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide (CID 15441221) is N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide is COC(CNC(=O)c1nc2ccccc2o1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide?
The InChIKey is YDZJUGFCZIKAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-16-10(17-2)7-13-11(15)12-14-8-5-3-4-6-9(8)18-12/h3-6,10H,7H2,1-2H3,(H,13,15).
What are the key properties of N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide?
N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide has a molecular weight of 250.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 15441221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).