ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

C19H22N4O4 — CID 53086530

IUPACethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(NCc2ccc(OC(C)C)cc2)c2c(C)noc2n1
InChIInChI=1S/C19H22N4O4/c1-5-25-19(24)17-21-16(15-12(4)23-27-18(15)22-17)20-10-13-6-8-14(9-7-13)26-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,20,21,22)
InChIKeyWUBBVOFPKNKNIY-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.50
Rot. Bonds7

About ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (PubChem CID 53086530) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
PubChem CID53086530
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Nameethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(NCc2ccc(OC(C)C)cc2)c2c(C)noc2n1
InChIInChI=1S/C19H22N4O4/c1-5-25-19(24)17-21-16(15-12(4)23-27-18(15)22-17)20-10-13-6-8-14(9-7-13)26-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,20,21,22)
InChIKeyWUBBVOFPKNKNIY-UHFFFAOYSA-N
XLogP3.50
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl 3-methyl-4-[(4-methylphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 46349816
ethyl 4-[[(2R)-butan-2-yl]amino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 92726131
ethyl 4-(2,6-dimethylanilino)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53000501
ethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53086555
ethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53086561
ethyl 4-[2-(5-chloro-1H-indol-3-yl)ethylamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53008055
ethyl 3-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 46349810
2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 53086846
3-methyl-6-propan-2-yl-N-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78882543
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 115127961
ethyl 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2346898

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (CID 53086530) is ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is CCOC(=O)c1nc(NCc2ccc(OC(C)C)cc2)c2c(C)noc2n1.
What is the InChIKey of ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The InChIKey is WUBBVOFPKNKNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-5-25-19(24)17-21-16(15-12(4)23-27-18(15)22-17)20-10-13-6-8-14(9-7-13)26-11(2)3/h6-9,11H,5,10H2,1-4H3,(H,20,21,22).
What are the key properties of ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 53086530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).