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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Related Compounds

N-(4-methylphenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 20948791
N-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341159
N-cycloheptyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929218
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxamide
CID 46341168
6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide
CID 59830624
(4-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-3-yl)methanone
CID 20948801
N-cyclopentyl-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109273889
N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide
CID 53335650
6-methyl-4-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 92745643
6-methyl-4-morpholin-4-yl-N-(oxolan-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 45106699
4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137769
N-cyclohexyl-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 56731255

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).