N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide

C11H15N3O4 — CID 110605031

IUPACN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)C2CCCO2)no1
InChIInChI=1S/C11H15N3O4/c1-7-5-9(14-18-7)13-10(15)6-12-11(16)8-3-2-4-17-8/h5,8H,2-4,6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyCPTVQOVUDQYXIL-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.22
Rot. Bonds4

About N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 110605031) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
PubChem CID110605031
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)C2CCCO2)no1
InChIInChI=1S/C11H15N3O4/c1-7-5-9(14-18-7)13-10(15)6-12-11(16)8-3-2-4-17-8/h5,8H,2-4,6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyCPTVQOVUDQYXIL-UHFFFAOYSA-N
XLogP0.22
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 113002379
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001183
N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112999667
N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41452901
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 51076414
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 32532589
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000825
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
2-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813408
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide
CID 82121626

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide (CID 110605031) is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide is Cc1cc(NC(=O)CNC(=O)C2CCCO2)no1.
What is the InChIKey of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is CPTVQOVUDQYXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-5-9(14-18-7)13-10(15)6-12-11(16)8-3-2-4-17-8/h5,8H,2-4,6H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide?
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110605031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).