CID 90054971

C20H26N2O3 — CID 90054971

IUPAC—
SMILESCCC/C=C/c1ccc2c(c1)C1(COC(N)=N1)C1(COC1)C(C)(C)O2
InChIInChI=1S/C20H26N2O3/c1-4-5-6-7-14-8-9-16-15(10-14)20(13-24-17(21)22-20)19(11-23-12-19)18(2,3)25-16/h6-10H,4-5,11-13H2,1-3H3,(H2,21,22)/b7-6+
InChIKeyDKGSWKREOJWJTP-VOTSOKGWSA-N
MW342.44 g/mol
LogP3.23
Rot. Bonds3

About CID 90054971

CID 90054971 (PubChem CID 90054971) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol.

Molecular Properties

Compound NameCID 90054971
PubChem CID90054971
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name—
SMILESCCC/C=C/c1ccc2c(c1)C1(COC(N)=N1)C1(COC1)C(C)(C)O2
InChIInChI=1S/C20H26N2O3/c1-4-5-6-7-14-8-9-16-15(10-14)20(13-24-17(21)22-20)19(11-23-12-19)18(2,3)25-16/h6-10H,4-5,11-13H2,1-3H3,(H2,21,22)/b7-6+
InChIKeyDKGSWKREOJWJTP-VOTSOKGWSA-N
XLogP3.23
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2'-(2-fluoro-5-methoxyphenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 45256108
2'-(2-fluoro-3-methoxyphenyl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67247971
3-[(4aS,5R,10aS)-2'-aminospiro[3,4,4a,10a-tetrahydro-1H-pyrano[3,4-b]chromene-5,4'-5H-1,3-oxazole]-7-yl]benzonitrile
CID 67950045
3-[(4aS,10R,10aR)-2'-amino-4a-methylspiro[2,3,4,10a-tetrahydropyrano[3,2-b]chromene-10,4'-5H-1,3-oxazole]-8-yl]benzonitrile
CID 67950125
3-[(4aS,10R,10aS)-2'-amino-4a-methylspiro[1,3,4,10a-tetrahydropyrano[4,3-b]chromene-10,4'-5H-1,3-oxazole]-8-yl]benzonitrile
CID 67950181
2'-methoxy-7'-(3-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67246553
2'-methoxy-7'-[3-(trifluoromethoxy)phenyl]spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67246725
2'-methoxy-7'-(2-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67247849
2'-methoxy-7'-[4-(trifluoromethoxy)phenyl]spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67249135
6'-(3-Chloro-5-fluorophenyl)-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine
CID 86724313
6'-(2-Fluoro-5-methoxyphenyl)trispiro[cyclobutane-1,2'-chromene-4',4''-[1,3]oxazole-3',3'''-oxetan]-2''-amine
CID 90025640
CID 90054972
CID 90054972

Frequently Asked Questions

What is the IUPAC name of CID 90054971?
The IUPAC name of CID 90054971 (CID 90054971) is not available.
What is the SMILES notation for CID 90054971?
The canonical SMILES for CID 90054971 is CCC/C=C/c1ccc2c(c1)C1(COC(N)=N1)C1(COC1)C(C)(C)O2.
What is the InChIKey of CID 90054971?
The InChIKey is DKGSWKREOJWJTP-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-5-6-7-14-8-9-16-15(10-14)20(13-24-17(21)22-20)19(11-23-12-19)18(2,3)25-16/h6-10H,4-5,11-13H2,1-3H3,(H2,21,22)/b7-6+.
What are the key properties of CID 90054971?
CID 90054971 has a molecular weight of 342.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90054971 is sourced from PubChem (CID 90054971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).