N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C13H22N2O3 — CID 113248560

IUPACN-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N(C)CCC(C)O
InChIInChI=1S/C13H22N2O3/c1-8(2)12-11(10(4)14-18-12)13(17)15(5)7-6-9(3)16/h8-9,16H,6-7H2,1-5H3
InChIKeyIAMVYDGFQDXPCP-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.95
Rot. Bonds5

About N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 113248560) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID113248560
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N(C)CCC(C)O
InChIInChI=1S/C13H22N2O3/c1-8(2)12-11(10(4)14-18-12)13(17)15(5)7-6-9(3)16/h8-9,16H,6-7H2,1-5H3
InChIKeyIAMVYDGFQDXPCP-UHFFFAOYSA-N
XLogP1.95
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 113248560) is N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is IAMVYDGFQDXPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8(2)12-11(10(4)14-18-12)13(17)15(5)7-6-9(3)16/h8-9,16H,6-7H2,1-5H3.
What are the key properties of N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 113248560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).