N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide

C17H20N2O2 — CID 53161739

IUPACN-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCc1ccc(-c2nocc2CCC(=O)NCC2CC2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-2-6-14(7-3-12)17-15(11-21-19-17)8-9-16(20)18-10-13-4-5-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,18,20)
InChIKeyZIULIJWNAQCTFI-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.11
Rot. Bonds6

About N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide

N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 53161739) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID53161739
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCc1ccc(-c2nocc2CCC(=O)NCC2CC2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-2-6-14(7-3-12)17-15(11-21-19-17)8-9-16(20)18-10-13-4-5-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,18,20)
InChIKeyZIULIJWNAQCTFI-UHFFFAOYSA-N
XLogP3.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide (CID 53161739) is N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide is Cc1ccc(-c2nocc2CCC(=O)NCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is ZIULIJWNAQCTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-2-6-14(7-3-12)17-15(11-21-19-17)8-9-16(20)18-10-13-4-5-13/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,18,20).
What are the key properties of N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 53161739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).