(2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

C17H20ClN3O3 — CID 95282583

IUPAC(2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O3/c1-12(24-10-14-3-2-8-23-14)17(22)20-13-4-5-16(15(18)9-13)21-7-6-19-11-21/h4-7,9,11-12,14H,2-3,8,10H2,1H3,(H,20,22)/t12-,14+/m1/s1
InChIKeyWJINJXKDVOJSIF-OCCSQVGLSA-N
MW349.82 g/mol
LogP3.05
Rot. Bonds6

About (2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

(2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (PubChem CID 95282583) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
PubChem CID95282583
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name(2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O3/c1-12(24-10-14-3-2-8-23-14)17(22)20-13-4-5-16(15(18)9-13)21-7-6-19-11-21/h4-7,9,11-12,14H,2-3,8,10H2,1H3,(H,20,22)/t12-,14+/m1/s1
InChIKeyWJINJXKDVOJSIF-OCCSQVGLSA-N
XLogP3.05
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide with MolForge

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Related Compounds

N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 49263668
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
N-(1-ethylindol-5-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 49493559
N-imidazo[1,2-a]pyrimidin-6-yl-2-(oxolan-2-ylmethoxy)propanamide
CID 126832682
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-[1-(2-methoxyethyl)indol-6-yl]-2-(oxolan-2-ylmethoxy)propanamide
CID 75440615
5-[2-(oxolan-2-ylmethoxy)propanoylamino]-1,3-benzoxazole-2-carboxamide
CID 126834368
(2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94795987

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (CID 95282583) is (2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1.
What is the InChIKey of (2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is WJINJXKDVOJSIF-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-12(24-10-14-3-2-8-23-14)17(22)20-13-4-5-16(15(18)9-13)21-7-6-19-11-21/h4-7,9,11-12,14H,2-3,8,10H2,1H3,(H,20,22)/t12-,14+/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
(2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 349.82 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-imidazol-1-ylphenyl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 95282583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).