2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone

C17H22N4O3 — CID 99586330

IUPAC2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
SMILESCc1nnc(CN2CCOC[C@H]2CC(=O)c2ccco2)n1C1CC1
InChIInChI=1S/C17H22N4O3/c1-12-18-19-17(21(12)13-4-5-13)10-20-6-8-23-11-14(20)9-15(22)16-3-2-7-24-16/h2-3,7,13-14H,4-6,8-11H2,1H3/t14-/m1/s1
InChIKeyOHWZLQMGGXUROJ-CQSZACIVSA-N
MW330.39 g/mol
LogP1.99
Rot. Bonds6

About 2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone

2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone (PubChem CID 99586330) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
PubChem CID99586330
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
SMILESCc1nnc(CN2CCOC[C@H]2CC(=O)c2ccco2)n1C1CC1
InChIInChI=1S/C17H22N4O3/c1-12-18-19-17(21(12)13-4-5-13)10-20-6-8-23-11-14(20)9-15(22)16-3-2-7-24-16/h2-3,7,13-14H,4-6,8-11H2,1H3/t14-/m1/s1
InChIKeyOHWZLQMGGXUROJ-CQSZACIVSA-N
XLogP1.99
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 99586170
2-[(3S)-4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 99586317
2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 86803552
1-(furan-2-yl)-2-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)morpholin-3-yl]ethanone
CID 91661795
N,N-diethyl-3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxamide
CID 75522328
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104624433
1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone
CID 164633953
1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone
CID 97244002
N-(2-fluorophenyl)-3-[3-[2-(furan-2-yl)-2-oxoethyl]morpholin-4-yl]propanamide
CID 154750383
1-(furan-2-yl)-2-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-3-yl]ethanone
CID 75389850
2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97059723
(2S)-1-[(3R)-3-[2-(furan-2-yl)-2-oxoethyl]morpholin-4-yl]-2-(1-methylpyrazol-4-yl)propan-1-one
CID 97244040

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
The IUPAC name of 2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone (CID 99586330) is 2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone is Cc1nnc(CN2CCOC[C@H]2CC(=O)c2ccco2)n1C1CC1.
What is the InChIKey of 2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
The InChIKey is OHWZLQMGGXUROJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-18-19-17(21(12)13-4-5-13)10-20-6-8-23-11-14(20)9-15(22)16-3-2-7-24-16/h2-3,7,13-14H,4-6,8-11H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone has a molecular weight of 330.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-(furan-2-yl)ethanone is sourced from PubChem (CID 99586330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).