7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid

C17H14N4O5 — CID 136640897

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(=O)O)[nH]c(=O)c12
InChIInChI=1S/C17H14N4O5/c1-6-12(7(2)26-21-6)9-4-10-8(5-11(9)25-3)13-14(18-10)19-15(17(23)24)20-16(13)22/h4-5H,1-3H3,(H,23,24)(H2,18,19,20,22)
InChIKeyLADMOIRBJZIMFC-UHFFFAOYSA-N
MW354.32 g/mol
LogP2.38
Rot. Bonds3

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid (PubChem CID 136640897) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid
PubChem CID136640897
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(=O)O)[nH]c(=O)c12
InChIInChI=1S/C17H14N4O5/c1-6-12(7(2)26-21-6)9-4-10-8(5-11(9)25-3)13-14(18-10)19-15(17(23)24)20-16(13)22/h4-5H,1-3H3,(H,23,24)(H2,18,19,20,22)
InChIKeyLADMOIRBJZIMFC-UHFFFAOYSA-N
XLogP2.38
TPSA134.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid with MolForge

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Related Compounds

4-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 118340553
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]piperazine-1-carbaldehyde
CID 90395621
N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-3,4-dimethyl-1,2-oxazol-5-amine
CID 118340713
4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 129212418
3-cyclopropyl-5-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]amino]pyrazole-1-carboxylic acid
CID 146190548
cumene;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 144912740
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-N-ethyl-5-propan-2-yl-1H-pyrrole-2-carboxamide
CID 90388373
4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395619
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl] N-ethanimidoyl-N-propan-2-ylcarbamimidothioate
CID 146201893
3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]aniline
CID 90388459
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340691
4-[4-(3-chlorophenyl)sulfonyl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 118340819

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid (CID 136640897) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C(=O)O)[nH]c(=O)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid?
The InChIKey is LADMOIRBJZIMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c1-6-12(7(2)26-21-6)9-4-10-8(5-11(9)25-3)13-14(18-10)19-15(17(23)24)20-16(13)22/h4-5H,1-3H3,(H,23,24)(H2,18,19,20,22).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid has a molecular weight of 354.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-oxo-3,9-dihydropyrimido[4,5-b]indole-2-carboxylic acid is sourced from PubChem (CID 136640897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).