N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide

C13H22N4O2 — CID 66254828

IUPACN-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCn1ccnc1
InChIInChI=1S/C13H22N4O2/c1-2-3-15-12-9-19-8-11(12)13(18)16-5-7-17-6-4-14-10-17/h4,6,10-12,15H,2-3,5,7-9H2,1H3,(H,16,18)
InChIKeyMZEDWBAEWVCFGX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.01
Rot. Bonds7

About N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide

N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66254828) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66254828
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCn1ccnc1
InChIInChI=1S/C13H22N4O2/c1-2-3-15-12-9-19-8-11(12)13(18)16-5-7-17-6-4-14-10-17/h4,6,10-12,15H,2-3,5,7-9H2,1H3,(H,16,18)
InChIKeyMZEDWBAEWVCFGX-UHFFFAOYSA-N
XLogP0.01
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide
CID 66256131
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide
CID 66256735
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 113487594
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
CID 106105001
N-(2-imidazol-1-ylethyl)oxetan-3-amine
CID 63623289
N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
CID 114154209

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide (CID 66254828) is N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is MZEDWBAEWVCFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-3-15-12-9-19-8-11(12)13(18)16-5-7-17-6-4-14-10-17/h4,6,10-12,15H,2-3,5,7-9H2,1H3,(H,16,18).
What are the key properties of N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide?
N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66254828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).