3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid

C12H19N5O4 — CID 66250953

IUPAC3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCn1cnnc1CCNC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C12H19N5O4/c1-12(10(18)19)6-21-5-8(12)15-11(20)13-4-3-9-16-14-7-17(9)2/h7-8H,3-6H2,1-2H3,(H,18,19)(H2,13,15,20)
InChIKeyGZOGMQWGPCUSFO-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.85
Rot. Bonds5

About 3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid

3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66250953) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID66250953
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCn1cnnc1CCNC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C12H19N5O4/c1-12(10(18)19)6-21-5-8(12)15-11(20)13-4-3-9-16-14-7-17(9)2/h7-8H,3-6H2,1-2H3,(H,18,19)(H2,13,15,20)
InChIKeyGZOGMQWGPCUSFO-UHFFFAOYSA-N
XLogP-0.85
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249974
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238975
3-methyl-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249390
3-methyl-4-(2-thiophen-2-ylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66250926
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 79359495
3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid
CID 66250154
3-methyl-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 114469245
4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248963
(2S)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 55202295
2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 63330525
2-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 106110175

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid (CID 66250953) is 3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid is Cn1cnnc1CCNC(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is GZOGMQWGPCUSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-12(10(18)19)6-21-5-8(12)15-11(20)13-4-3-9-16-14-7-17(9)2/h7-8H,3-6H2,1-2H3,(H,18,19)(H2,13,15,20).
What are the key properties of 3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of -0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66250953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).