3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide

C19H18N2O4 — CID 43911371

IUPAC3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)on1
InChIInChI=1S/C19H18N2O4/c1-14-13-18(25-21-14)19(22)20-15-7-9-17(10-8-15)24-12-11-23-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyDNSMAVQIKUETER-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.69
Rot. Bonds7

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

3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 43911371) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID43911371
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)on1
InChIInChI=1S/C19H18N2O4/c1-14-13-18(25-21-14)19(22)20-15-7-9-17(10-8-15)24-12-11-23-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyDNSMAVQIKUETER-UHFFFAOYSA-N
XLogP3.69
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911364
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
3-methyl-N-(3-phenoxyphenyl)-1,2-oxazole-5-carboxamide
CID 51204920
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 75513517
3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 134009492
N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458
3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 43911461
2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 120540971
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911440

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide (CID 43911371) is 3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)on1.
What is the InChIKey of 3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is DNSMAVQIKUETER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-14-13-18(25-21-14)19(22)20-15-7-9-17(10-8-15)24-12-11-23-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of 3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43911371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).