N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide

C17H23N5O3 — CID 46341161

IUPACN-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1noc2ncnc(N3CCOCC3)c12
InChIInChI=1S/C17H23N5O3/c23-16(20-12-5-3-1-2-4-6-12)14-13-15(22-7-9-24-10-8-22)18-11-19-17(13)25-21-14/h11-12H,1-10H2,(H,20,23)
InChIKeyIJYTYXNMJRLULN-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.91
Rot. Bonds3

About N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide

N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide (PubChem CID 46341161) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
PubChem CID46341161
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1noc2ncnc(N3CCOCC3)c12
InChIInChI=1S/C17H23N5O3/c23-16(20-12-5-3-1-2-4-6-12)14-13-15(22-7-9-24-10-8-22)18-11-19-17(13)25-21-14/h11-12H,1-10H2,(H,20,23)
InChIKeyIJYTYXNMJRLULN-UHFFFAOYSA-N
XLogP1.91
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide (CID 46341161) is N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide is O=C(NC1CCCCCC1)c1noc2ncnc(N3CCOCC3)c12.
What is the InChIKey of N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
The InChIKey is IJYTYXNMJRLULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c23-16(20-12-5-3-1-2-4-6-12)14-13-15(22-7-9-24-10-8-22)18-11-19-17(13)25-21-14/h11-12H,1-10H2,(H,20,23).
What are the key properties of N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide?
N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 46341161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).