4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid

C12H19N5O4 — CID 66252743

IUPAC4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NCc1ncn[nH]1)C1COCC1C(=O)O
InChIInChI=1S/C12H19N5O4/c1-2-3-17(9-6-21-5-8(9)11(18)19)12(20)13-4-10-14-7-15-16-10/h7-9H,2-6H2,1H3,(H,13,20)(H,18,19)(H,14,15,16)
InChIKeyNVDDNYKNXCTSKR-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.17
Rot. Bonds6

About 4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid

4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66252743) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID66252743
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NCc1ncn[nH]1)C1COCC1C(=O)O
InChIInChI=1S/C12H19N5O4/c1-2-3-17(9-6-21-5-8(9)11(18)19)12(20)13-4-10-14-7-15-16-10/h7-9H,2-6H2,1H3,(H,13,20)(H,18,19)(H,14,15,16)
InChIKeyNVDDNYKNXCTSKR-UHFFFAOYSA-N
XLogP-0.17
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253468
4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
CID 83113841
4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66253972
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 83205759
4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245923
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66254149
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[(2-iodobenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66253206
4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66252239
4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 106402658
4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66260303

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 66252743) is 4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid is CCCN(C(=O)NCc1ncn[nH]1)C1COCC1C(=O)O.
What is the InChIKey of 4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is NVDDNYKNXCTSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-2-3-17(9-6-21-5-8(9)11(18)19)12(20)13-4-10-14-7-15-16-10/h7-9H,2-6H2,1H3,(H,13,20)(H,18,19)(H,14,15,16).
What are the key properties of 4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).