ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C16H18N4O4 — CID 20947894

IUPACethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(NC(C)CCc3ccco3)c12
InChIInChI=1S/C16H18N4O4/c1-3-22-16(21)13-12-14(17-9-18-15(12)24-20-13)19-10(2)6-7-11-5-4-8-23-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18,19)
InChIKeyKFQABRCRLLCQFW-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.82
Rot. Bonds7

About ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 20947894) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID20947894
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Nameethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(NC(C)CCc3ccco3)c12
InChIInChI=1S/C16H18N4O4/c1-3-22-16(21)13-12-14(17-9-18-15(12)24-20-13)19-10(2)6-7-11-5-4-8-23-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18,19)
InChIKeyKFQABRCRLLCQFW-UHFFFAOYSA-N
XLogP2.82
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

ethyl 4-(2-phenylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947898
ethyl 4-[1-(1-adamantyl)propan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340180
ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340158
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340159
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine
CID 63727965
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854
ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate
CID 61042919
ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
CID 83042042
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-nitropyrimidin-4-amine
CID 62100387
2-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyridine-2,5-diamine
CID 79173050
2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine
CID 55080552

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 20947894) is ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2ncnc(NC(C)CCc3ccco3)c12.
What is the InChIKey of ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is KFQABRCRLLCQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-3-22-16(21)13-12-14(17-9-18-15(12)24-20-13)19-10(2)6-7-11-5-4-8-23-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 20947894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).