N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide

C16H19N3O3 — CID 112990399

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)C3CCOCC3)cc2)no1
InChIInChI=1S/C16H19N3O3/c1-11-10-15(19-22-11)17-13-2-4-14(5-3-13)18-16(20)12-6-8-21-9-7-12/h2-5,10,12H,6-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyYCWASNCLTNZUHI-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.09
Rot. Bonds4

About N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide

N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide (PubChem CID 112990399) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide
PubChem CID112990399
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)C3CCOCC3)cc2)no1
InChIInChI=1S/C16H19N3O3/c1-11-10-15(19-22-11)17-13-2-4-14(5-3-13)18-16(20)12-6-8-21-9-7-12/h2-5,10,12H,6-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyYCWASNCLTNZUHI-UHFFFAOYSA-N
XLogP3.09
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113023357
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 27242204
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990326
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 113002379
N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
CID 112986425
1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150712
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]cyclohexanecarboxamide
CID 1181036
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151140
N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113048072

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide (CID 112990399) is N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide is Cc1cc(Nc2ccc(NC(=O)C3CCOCC3)cc2)no1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide?
The InChIKey is YCWASNCLTNZUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-10-15(19-22-11)17-13-2-4-14(5-3-13)18-16(20)12-6-8-21-9-7-12/h2-5,10,12H,6-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 112990399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).