N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide

C15H18N2O3 — CID 5309670

IUPACN-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccc(OC)cc2)no1
InChIInChI=1S/C15H18N2O3/c1-3-4-13-9-14(17-20-13)15(18)16-10-11-5-7-12(19-2)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,16,18)
InChIKeyKDCKARIFPKDUFZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.57
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide

N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 5309670) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID5309670
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccc(OC)cc2)no1
InChIInChI=1S/C15H18N2O3/c1-3-4-13-9-14(17-20-13)15(18)16-10-11-5-7-12(19-2)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,16,18)
InChIKeyKDCKARIFPKDUFZ-UHFFFAOYSA-N
XLogP2.57
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide (CID 5309670) is N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NCc2ccc(OC)cc2)no1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is KDCKARIFPKDUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-4-13-9-14(17-20-13)15(18)16-10-11-5-7-12(19-2)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5309670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).