(2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

C19H22FN3O2 — CID 128986472

IUPAC(2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C19H22FN3O2/c1-22-9-8-21-18(22)17-16(7-10-25-17)19(24)23(15-5-6-15)12-13-3-2-4-14(20)11-13/h2-4,8-9,11,15-17H,5-7,10,12H2,1H3/t16-,17-/m1/s1
InChIKeyKJFLNXPBVJVOGQ-IAGOWNOFSA-N
MW343.40 g/mol
LogP2.83
Rot. Bonds5

About (2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

(2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (PubChem CID 128986472) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
PubChem CID128986472
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C19H22FN3O2/c1-22-9-8-21-18(22)17-16(7-10-25-17)19(24)23(15-5-6-15)12-13-3-2-4-14(20)11-13/h2-4,8-9,11,15-17H,5-7,10,12H2,1H3/t16-,17-/m1/s1
InChIKeyKJFLNXPBVJVOGQ-IAGOWNOFSA-N
XLogP2.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
(2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128975447
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265812
(2R,3R)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 167941814
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340
trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 97011420
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871375
1-[(4-fluorophenyl)methyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 128977421
[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 128975674
3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128969379
2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 103754314
N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284923

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (CID 128986472) is (2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of (2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The InChIKey is KJFLNXPBVJVOGQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22-9-8-21-18(22)17-16(7-10-25-17)19(24)23(15-5-6-15)12-13-3-2-4-14(20)11-13/h2-4,8-9,11,15-17H,5-7,10,12H2,1H3/t16-,17-/m1/s1.
What are the key properties of (2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
(2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128986472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).