ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C17H24N4O3 — CID 46340170

IUPACethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(N(C(C)C)C3CCCCC3)c12
InChIInChI=1S/C17H24N4O3/c1-4-23-17(22)14-13-15(18-10-19-16(13)24-20-14)21(11(2)3)12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyDLWAMORLHDEANH-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.34
Rot. Bonds5

About ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 46340170) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID46340170
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nameethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(N(C(C)C)C3CCCCC3)c12
InChIInChI=1S/C17H24N4O3/c1-4-23-17(22)14-13-15(18-10-19-16(13)24-20-14)21(11(2)3)12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyDLWAMORLHDEANH-UHFFFAOYSA-N
XLogP3.34
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 46340170) is ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2ncnc(N(C(C)C)C3CCCCC3)c12.
What is the InChIKey of ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is DLWAMORLHDEANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-23-17(22)14-13-15(18-10-19-16(13)24-20-14)21(11(2)3)12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[cyclohexyl(propan-2-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 46340170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).