(3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide

C13H19N3O2 — CID 100681126

IUPAC(3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCn1ccnc1C1CC1)[C@H]1CCOC1
InChIInChI=1S/C13H19N3O2/c17-13(11-3-8-18-9-11)15-5-7-16-6-4-14-12(16)10-1-2-10/h4,6,10-11H,1-3,5,7-9H2,(H,15,17)/t11-/m0/s1
InChIKeyZZHDUKVMLKYRBP-NSHDSACASA-N
MW249.31 g/mol
LogP0.91
Rot. Bonds5

About (3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide

(3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide (PubChem CID 100681126) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide
PubChem CID100681126
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCn1ccnc1C1CC1)[C@H]1CCOC1
InChIInChI=1S/C13H19N3O2/c17-13(11-3-8-18-9-11)15-5-7-16-6-4-14-12(16)10-1-2-10/h4,6,10-11H,1-3,5,7-9H2,(H,15,17)/t11-/m0/s1
InChIKeyZZHDUKVMLKYRBP-NSHDSACASA-N
XLogP0.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide
CID 91628946
4-bromo-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 91628987
1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 91628992
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-(difluoromethylsulfanyl)benzamide
CID 91628980
N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide
CID 169420827
2-(2-cyclopropylimidazol-1-yl)acetic acid
CID 82560357
N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-3-carboxamide
CID 146330154
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 71975238
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]oxolane-3-carboxamide
CID 122280706
N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 91777093
(3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide
CID 164629625
N-(4-bromobutyl)oxolane-3-carboxamide
CID 106845774

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide (CID 100681126) is (3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide is O=C(NCCn1ccnc1C1CC1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is ZZHDUKVMLKYRBP-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(11-3-8-18-9-11)15-5-7-16-6-4-14-12(16)10-1-2-10/h4,6,10-11H,1-3,5,7-9H2,(H,15,17)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide?
(3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 100681126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).