3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide

C19H19N3O3 — CID 47789323

IUPAC3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C19H19N3O3/c1-12(2)18-17(13(3)22-25-18)19(23)21-14-9-10-16(20-11-14)24-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,21,23)
InChIKeyYWBRQMJBBYOYBI-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.55
Rot. Bonds5

About 3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 47789323) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID47789323
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C19H19N3O3/c1-12(2)18-17(13(3)22-25-18)19(23)21-14-9-10-16(20-11-14)24-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,21,23)
InChIKeyYWBRQMJBBYOYBI-UHFFFAOYSA-N
XLogP4.55
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55800853
4-methyl-N-(6-phenoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 47789215
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9270594
3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960
2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 120541105
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112826522
5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2571454
N-(2-carbamoylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110675294
(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849184
3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 26700940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 47789323) is 3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)Nc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is YWBRQMJBBYOYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(2)18-17(13(3)22-25-18)19(23)21-14-9-10-16(20-11-14)24-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,21,23).
What are the key properties of 3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 47789323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).