ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C19H21N5O4 — CID 46340163

IUPACethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(N3CCN(c4cccc(OC)c4)CC3)c12
InChIInChI=1S/C19H21N5O4/c1-3-27-19(25)16-15-17(20-12-21-18(15)28-22-16)24-9-7-23(8-10-24)13-5-4-6-14(11-13)26-2/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyVLFZXXCLNAHOCR-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.13
Rot. Bonds5

About ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 46340163) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID46340163
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Nameethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(N3CCN(c4cccc(OC)c4)CC3)c12
InChIInChI=1S/C19H21N5O4/c1-3-27-19(25)16-15-17(20-12-21-18(15)28-22-16)24-9-7-23(8-10-24)13-5-4-6-14(11-13)26-2/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyVLFZXXCLNAHOCR-UHFFFAOYSA-N
XLogP2.13
TPSA93.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(4-benzylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340131
[4-(3-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 92706939
ethyl 4-[(2,5-dimethoxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340157
ethyl 4-[4-[3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-4-oxobutanoate
CID 41245104
ethyl 3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 50765029
5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline
CID 71622474
3-bromo-4-[4-(3-methoxyphenyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
CID 67161351
4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313294
2-(4-ethoxyphenoxy)-1-[4-[3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]ethanone
CID 16811398
ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate
CID 63950822
ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340158
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 46340163) is ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2ncnc(N3CCN(c4cccc(OC)c4)CC3)c12.
What is the InChIKey of ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is VLFZXXCLNAHOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-3-27-19(25)16-15-17(20-12-21-18(15)28-22-16)24-9-7-23(8-10-24)13-5-4-6-14(11-13)26-2/h4-6,11-12H,3,7-10H2,1-2H3.
What are the key properties of ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 383.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 46340163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).