1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide

C17H21N5O3 — CID 94032802

IUPAC1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide
SMILESC[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(-n2cc(C(N)=O)nn2)cc1
InChIInChI=1S/C17H21N5O3/c1-11(19-16(23)9-14-3-2-8-25-14)12-4-6-13(7-5-12)22-10-15(17(18)24)20-21-22/h4-7,10-11,14H,2-3,8-9H2,1H3,(H2,18,24)(H,19,23)/t11-,14-/m1/s1
InChIKeySMFOHUPYWCSDHJ-BXUZGUMPSA-N
MW343.39 g/mol
LogP1.11
Rot. Bonds6

About 1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide

1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide (PubChem CID 94032802) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide
PubChem CID94032802
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide
SMILESC[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(-n2cc(C(N)=O)nn2)cc1
InChIInChI=1S/C17H21N5O3/c1-11(19-16(23)9-14-3-2-8-25-14)12-4-6-13(7-5-12)22-10-15(17(18)24)20-21-22/h4-7,10-11,14H,2-3,8-9H2,1H3,(H2,18,24)(H,19,23)/t11-,14-/m1/s1
InChIKeySMFOHUPYWCSDHJ-BXUZGUMPSA-N
XLogP1.11
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide
CID 167963225
1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95183308
1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide
CID 94063227
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119683065
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 100905654
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 95153393
N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 99715210
N-[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94616427
N-[1-(4-fluorophenyl)ethyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259203
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119699856
1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide
CID 112708395

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide (CID 94032802) is 1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide is C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(-n2cc(C(N)=O)nn2)cc1.
What is the InChIKey of 1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide?
The InChIKey is SMFOHUPYWCSDHJ-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11(19-16(23)9-14-3-2-8-25-14)12-4-6-13(7-5-12)22-10-15(17(18)24)20-21-22/h4-7,10-11,14H,2-3,8-9H2,1H3,(H2,18,24)(H,19,23)/t11-,14-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide?
1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 94032802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).