N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

C16H20N2O3 — CID 75389998

IUPACN-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1cccc(CN(C)C(=O)Cc2ccon2)c1
InChIInChI=1S/C16H20N2O3/c1-12(2)21-15-6-4-5-13(9-15)11-18(3)16(19)10-14-7-8-20-17-14/h4-9,12H,10-11H2,1-3H3
InChIKeyBRMBKJNLZKRPED-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.66
Rot. Bonds6

About N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 75389998) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID75389998
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1cccc(CN(C)C(=O)Cc2ccon2)c1
InChIInChI=1S/C16H20N2O3/c1-12(2)21-15-6-4-5-13(9-15)11-18(3)16(19)10-14-7-8-20-17-14/h4-9,12H,10-11H2,1-3H3
InChIKeyBRMBKJNLZKRPED-UHFFFAOYSA-N
XLogP2.66
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (CID 75389998) is N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1cccc(CN(C)C(=O)Cc2ccon2)c1.
What is the InChIKey of N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is BRMBKJNLZKRPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(2)21-15-6-4-5-13(9-15)11-18(3)16(19)10-14-7-8-20-17-14/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2-oxazol-3-yl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 75389998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).