N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide

C16H23N3O2 — CID 128989683

IUPACN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)C1=CCCCCC1
InChIInChI=1S/C16H23N3O2/c1-19-10-9-17-15(19)14-13(8-11-21-14)18-16(20)12-6-4-2-3-5-7-12/h6,9-10,13-14H,2-5,7-8,11H2,1H3,(H,18,20)/t13-,14-/m0/s1
InChIKeySHOKURVIMSIALU-KBPBESRZSA-N
MW289.38 g/mol
LogP2.26
Rot. Bonds3

About N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide

N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide (PubChem CID 128989683) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide
PubChem CID128989683
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)C1=CCCCCC1
InChIInChI=1S/C16H23N3O2/c1-19-10-9-17-15(19)14-13(8-11-21-14)18-16(20)12-6-4-2-3-5-7-12/h6,9-10,13-14H,2-5,7-8,11H2,1H3,(H,18,20)/t13-,14-/m0/s1
InChIKeySHOKURVIMSIALU-KBPBESRZSA-N
XLogP2.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129330273
2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
CID 128986079
4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
CID 154738095
(2S,5R)-5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxolane-2-carboxamide
CID 129333968
5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 128973427
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzodioxole-4-carboxamide
CID 128974107
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 128986100
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide
CID 128972203
3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128969379

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide (CID 128989683) is N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide is Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)C1=CCCCCC1.
What is the InChIKey of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide?
The InChIKey is SHOKURVIMSIALU-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19-10-9-17-15(19)14-13(8-11-21-14)18-16(20)12-6-4-2-3-5-7-12/h6,9-10,13-14H,2-5,7-8,11H2,1H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide?
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide is sourced from PubChem (CID 128989683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).