N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide

C17H17N3O4 — CID 52904581

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)no1
InChIInChI=1S/C17H17N3O4/c1-10(2)22-13-6-4-12(5-7-13)15-9-14(19-24-15)17(21)18-16-8-11(3)23-20-16/h4-10H,1-3H3,(H,18,20,21)
InChIKeyKKDVNJXRILYWHP-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.68
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 52904581) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID52904581
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)no1
InChIInChI=1S/C17H17N3O4/c1-10(2)22-13-6-4-12(5-7-13)15-9-14(19-24-15)17(21)18-16-8-11(3)23-20-16/h4-10H,1-3H3,(H,18,20,21)
InChIKeyKKDVNJXRILYWHP-UHFFFAOYSA-N
XLogP3.68
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 52904574
5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 52904562
N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904535
N-[(2-chlorophenyl)methyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904542
N-[2-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 171703768
N-[2-(4-methoxyphenyl)ethyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904543
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51065323
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063
N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252843
5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 46975075
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide (CID 52904581) is N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KKDVNJXRILYWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-10(2)22-13-6-4-12(5-7-13)15-9-14(19-24-15)17(21)18-16-8-11(3)23-20-16/h4-10H,1-3H3,(H,18,20,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 52904581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).