(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide

C18H23N3O4 — CID 94642959

IUPAC(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide
SMILESCc1cc(NC(=O)[C@H](C)Nc2ccc(OC[C@H]3CCCO3)cc2)on1
InChIInChI=1S/C18H23N3O4/c1-12-10-17(25-21-12)20-18(22)13(2)19-14-5-7-15(8-6-14)24-11-16-4-3-9-23-16/h5-8,10,13,16,19H,3-4,9,11H2,1-2H3,(H,20,22)/t13-,16+/m0/s1
InChIKeyGZUHJEFXQLIVGW-XJKSGUPXSA-N
MW345.40 g/mol
LogP2.98
Rot. Bonds7

About (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide

(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide (PubChem CID 94642959) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide
PubChem CID94642959
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide
SMILESCc1cc(NC(=O)[C@H](C)Nc2ccc(OC[C@H]3CCCO3)cc2)on1
InChIInChI=1S/C18H23N3O4/c1-12-10-17(25-21-12)20-18(22)13(2)19-14-5-7-15(8-6-14)24-11-16-4-3-9-23-16/h5-8,10,13,16,19H,3-4,9,11H2,1-2H3,(H,20,22)/t13-,16+/m0/s1
InChIKeyGZUHJEFXQLIVGW-XJKSGUPXSA-N
XLogP2.98
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide
CID 47065380
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 119712739
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one
CID 94642990
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
2-amino-3-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide;hydrochloride
CID 119712748
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 8562360
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867
2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120986481
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide?
The IUPAC name of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide (CID 94642959) is (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide.
What is the SMILES notation for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide?
The canonical SMILES for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide is Cc1cc(NC(=O)[C@H](C)Nc2ccc(OC[C@H]3CCCO3)cc2)on1.
What is the InChIKey of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide?
The InChIKey is GZUHJEFXQLIVGW-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-10-17(25-21-12)20-18(22)13(2)19-14-5-7-15(8-6-14)24-11-16-4-3-9-23-16/h5-8,10,13,16,19H,3-4,9,11H2,1-2H3,(H,20,22)/t13-,16+/m0/s1.
What are the key properties of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide?
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide has a molecular weight of 345.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide is sourced from PubChem (CID 94642959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).