1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea

C11H18N6O3 — CID 31073667

IUPAC1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea
SMILESCCCc1nc(NC(=O)NCCN2CCOC2=O)n[nH]1
InChIInChI=1S/C11H18N6O3/c1-2-3-8-13-9(16-15-8)14-10(18)12-4-5-17-6-7-20-11(17)19/h2-7H2,1H3,(H3,12,13,14,15,16,18)
InChIKeyNMEZRNPKMXKHDB-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.33
Rot. Bonds6

About 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea

1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea (PubChem CID 31073667) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea
PubChem CID31073667
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea
SMILESCCCc1nc(NC(=O)NCCN2CCOC2=O)n[nH]1
InChIInChI=1S/C11H18N6O3/c1-2-3-8-13-9(16-15-8)14-10(18)12-4-5-17-6-7-20-11(17)19/h2-7H2,1H3,(H3,12,13,14,15,16,18)
InChIKeyNMEZRNPKMXKHDB-UHFFFAOYSA-N
XLogP0.33
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 70734717
1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-propan-2-ylurea
CID 110746780
1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea
CID 110747891
1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
CID 110746783
1-(5-methyl-2-propylpyrazol-3-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 72908492
2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid
CID 139512327
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]morpholine-4-carboxamide
CID 110872095
1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 72869943
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
CID 110872096
3-(4-ethylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide
CID 110707230
1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
CID 46989161
3-octyl-1,3-oxazolidin-2-one
CID 3565999

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea (CID 31073667) is 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea is CCCc1nc(NC(=O)NCCN2CCOC2=O)n[nH]1.
What is the InChIKey of 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea?
The InChIKey is NMEZRNPKMXKHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-2-3-8-13-9(16-15-8)14-10(18)12-4-5-17-6-7-20-11(17)19/h2-7H2,1H3,(H3,12,13,14,15,16,18).
What are the key properties of 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea?
1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea has a molecular weight of 282.30 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-(5-propyl-1H-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 31073667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).