(2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide

C19H25N3O3 — CID 94820641

IUPAC(2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)Nc1nccn1Cc1ccccc1
InChIInChI=1S/C19H25N3O3/c1-15(25-14-17-9-5-6-12-24-17)18(23)21-19-20-10-11-22(19)13-16-7-3-2-4-8-16/h2-4,7-8,10-11,15,17H,5-6,9,12-14H2,1H3,(H,20,21,23)/t15-,17+/m0/s1
InChIKeyHSOJPHNICUHGLL-DOTOQJQBSA-N
MW343.43 g/mol
LogP2.84
Rot. Bonds7

About (2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide

(2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide (PubChem CID 94820641) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
PubChem CID94820641
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)Nc1nccn1Cc1ccccc1
InChIInChI=1S/C19H25N3O3/c1-15(25-14-17-9-5-6-12-24-17)18(23)21-19-20-10-11-22(19)13-16-7-3-2-4-8-16/h2-4,7-8,10-11,15,17H,5-6,9,12-14H2,1H3,(H,20,21,23)/t15-,17+/m0/s1
InChIKeyHSOJPHNICUHGLL-DOTOQJQBSA-N
XLogP2.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide
CID 124615556
(2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95271771
(2R)-N-(1-benzylimidazol-2-yl)oxolane-2-carboxamide
CID 94211931
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 95273188
methyl (2S)-2-[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]-3-phenylpropanoate
CID 95156285
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-imidazo[1,2-a]pyrimidin-6-yl-2-(oxolan-2-ylmethoxy)propanamide
CID 126832682
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
2-[benzyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119196865
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide (CID 94820641) is (2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide is C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1nccn1Cc1ccccc1.
What is the InChIKey of (2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The InChIKey is HSOJPHNICUHGLL-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-15(25-14-17-9-5-6-12-24-17)18(23)21-19-20-10-11-22(19)13-16-7-3-2-4-8-16/h2-4,7-8,10-11,15,17H,5-6,9,12-14H2,1H3,(H,20,21,23)/t15-,17+/m0/s1.
What are the key properties of (2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
(2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 94820641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).