CID 90054975

C22H28N2O3 — CID 90054975

IUPAC—
SMILESCC1(C)Oc2ccc(C3=CCCCCC3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C22H28N2O3/c1-20(2)21(12-25-13-21)22(14-26-19(23)24-22)17-11-16(9-10-18(17)27-20)15-7-5-3-4-6-8-15/h7,9-11H,3-6,8,12-14H2,1-2H3,(H2,23,24)
InChIKeyYNAMZKYOBIDWHW-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.76
Rot. Bonds1

About CID 90054975

CID 90054975 (PubChem CID 90054975) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol.

Molecular Properties

Compound NameCID 90054975
PubChem CID90054975
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name—
SMILESCC1(C)Oc2ccc(C3=CCCCCC3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C22H28N2O3/c1-20(2)21(12-25-13-21)22(14-26-19(23)24-22)17-11-16(9-10-18(17)27-20)15-7-5-3-4-6-8-15/h7,9-11H,3-6,8,12-14H2,1-2H3,(H2,23,24)
InChIKeyYNAMZKYOBIDWHW-UHFFFAOYSA-N
XLogP3.76
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.76
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,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 90054971
CID 90054971
CID 90054972
CID 90054972

Frequently Asked Questions

What is the IUPAC name of CID 90054975?
The IUPAC name of CID 90054975 (CID 90054975) is not available.
What is the SMILES notation for CID 90054975?
The canonical SMILES for CID 90054975 is CC1(C)Oc2ccc(C3=CCCCCC3)cc2C2(COC(N)=N2)C12COC2.
What is the InChIKey of CID 90054975?
The InChIKey is YNAMZKYOBIDWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-20(2)21(12-25-13-21)22(14-26-19(23)24-22)17-11-16(9-10-18(17)27-20)15-7-5-3-4-6-8-15/h7,9-11H,3-6,8,12-14H2,1-2H3,(H2,23,24).
What are the key properties of CID 90054975?
CID 90054975 has a molecular weight of 368.48 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90054975 is sourced from PubChem (CID 90054975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).