1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide

C14H16N4O3 — CID 126836087

IUPAC1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide
SMILESCc1ccc2oc(N3CC(C(N)=O)C(C(N)=O)C3)nc2c1
InChIInChI=1S/C14H16N4O3/c1-7-2-3-11-10(4-7)17-14(21-11)18-5-8(12(15)19)9(6-18)13(16)20/h2-4,8-9H,5-6H2,1H3,(H2,15,19)(H2,16,20)
InChIKeyGABOLNDOYLUEDC-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.16
Rot. Bonds3

About 1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide

1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide (PubChem CID 126836087) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide
PubChem CID126836087
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide
SMILESCc1ccc2oc(N3CC(C(N)=O)C(C(N)=O)C3)nc2c1
InChIInChI=1S/C14H16N4O3/c1-7-2-3-11-10(4-7)17-14(21-11)18-5-8(12(15)19)9(6-18)13(16)20/h2-4,8-9H,5-6H2,1H3,(H2,15,19)(H2,16,20)
InChIKeyGABOLNDOYLUEDC-UHFFFAOYSA-N
XLogP0.16
TPSA115.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,6R)-6-[(5-methyl-1,3-benzoxazol-2-yl)amino]cyclohex-3-ene-1-carboxamide
CID 122563304
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119879911
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120800151
2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide
CID 135148582
2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119879906
3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982695
1-(5-methyl-1,3-benzoxazol-2-yl)ethanone
CID 82598754
[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120941290
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119879941
N-(5-chloro-2-pyridinyl)-1-(5-methyl-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 136525935
1-(2-pyrrolidin-1-yl-1,3-benzoxazol-5-yl)ethanone
CID 83894123
3-amino-2-(5-methyl-1,3-benzoxazol-2-yl)-3-oxopropanoic acid
CID 57017901

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide?
The IUPAC name of 1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide (CID 126836087) is 1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for 1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for 1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide is Cc1ccc2oc(N3CC(C(N)=O)C(C(N)=O)C3)nc2c1.
What is the InChIKey of 1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide?
The InChIKey is GABOLNDOYLUEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-7-2-3-11-10(4-7)17-14(21-11)18-5-8(12(15)19)9(6-18)13(16)20/h2-4,8-9H,5-6H2,1H3,(H2,15,19)(H2,16,20).
What are the key properties of 1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide?
1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 126836087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).