N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C14H15N3O4 — CID 108503092

IUPACN-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCc2ccc(O)cc2)no1
InChIInChI=1S/C14H15N3O4/c1-9-8-12(17-21-9)16-14(20)13(19)15-7-6-10-2-4-11(18)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyBCXNMDCPLXJKSR-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.99
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 108503092) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID108503092
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCc2ccc(O)cc2)no1
InChIInChI=1S/C14H15N3O4/c1-9-8-12(17-21-9)16-14(20)13(19)15-7-6-10-2-4-11(18)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyBCXNMDCPLXJKSR-UHFFFAOYSA-N
XLogP0.99
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-N-[2-(4-hydroxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108829265
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
N-(3-chloropropyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108513695
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
2-N-[2-(4-fluorophenyl)ethyl]-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
CID 109098616
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588555
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137458
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585
N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503202

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 108503092) is N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)NCCc2ccc(O)cc2)no1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is BCXNMDCPLXJKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9-8-12(17-21-9)16-14(20)13(19)15-7-6-10-2-4-11(18)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,19)(H,16,17,20).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 289.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 108503092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).