4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine

C16H20NO3P — CID 134213961

IUPAC4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine
SMILESCC(C)c1oc2c(c1N)P(=O)(C(C)C)c1ccccc1O2
InChIInChI=1S/C16H20NO3P/c1-9(2)14-13(17)15-16(20-14)19-11-7-5-6-8-12(11)21(15,18)10(3)4/h5-10H,17H2,1-4H3
InChIKeyQGMWRYLSRJENPF-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.81
Rot. Bonds2

About 4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine

4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine (PubChem CID 134213961) has the molecular formula C16H20NO3P and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine.

Molecular Properties

Compound Name4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine
PubChem CID134213961
Molecular FormulaC16H20NO3P
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine
SMILESCC(C)c1oc2c(c1N)P(=O)(C(C)C)c1ccccc1O2
InChIInChI=1S/C16H20NO3P/c1-9(2)14-13(17)15-16(20-14)19-11-7-5-6-8-12(11)21(15,18)10(3)4/h5-10H,17H2,1-4H3
InChIKeyQGMWRYLSRJENPF-UHFFFAOYSA-N
XLogP3.81
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine
CID 147847135
5,10-dioxo-2,10-di(propan-2-yl)benzo[b][1,4]benzothiaphosphinin-1-amine
CID 126670409
4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine
CID 148962083
5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide
CID 118219678
10,10-dimethyl-4-phenyl-3,5-di(propan-2-yl)acridophosphine 5-oxide
CID 134402630
6-phenyl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 177415042
2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide
CID 135299826
2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
CID 14686892
5,10-dioxo-2,10-di(propan-2-yl)-[1,4]benzothiaphosphinino[3,2-b]pyridin-1-ium-1-amine
CID 170081189
1-propan-2-ylphenoxathiine 10,10-dioxide
CID 10731045
11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220322
1-amino-3-methoxypropan-2-ol;7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 21319053

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine?
The IUPAC name of 4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine (CID 134213961) is 4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine.
What is the SMILES notation for 4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine?
The canonical SMILES for 4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine is CC(C)c1oc2c(c1N)P(=O)(C(C)C)c1ccccc1O2.
What is the InChIKey of 4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine?
The InChIKey is QGMWRYLSRJENPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO3P/c1-9(2)14-13(17)15-16(20-14)19-11-7-5-6-8-12(11)21(15,18)10(3)4/h5-10H,17H2,1-4H3.
What are the key properties of 4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine?
4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine has a molecular weight of 305.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxaphosphinin-3-amine is sourced from PubChem (CID 134213961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).