(2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one

C18H21N3O4 — CID 97067364

IUPAC(2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one
SMILESCc1noc2ncc(C(=O)N3CCOC[C@H]3[C@H]3CCCCC3=O)cc12
InChIInChI=1S/C18H21N3O4/c1-11-14-8-12(9-19-17(14)25-20-11)18(23)21-6-7-24-10-15(21)13-4-2-3-5-16(13)22/h8-9,13,15H,2-7,10H2,1H3/t13-,15+/m1/s1
InChIKeyXNPWELMESULXSV-HIFRSBDPSA-N
MW343.38 g/mol
LogP2.13
Rot. Bonds2

About (2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one

(2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one (PubChem CID 97067364) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one
PubChem CID97067364
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one
SMILESCc1noc2ncc(C(=O)N3CCOC[C@H]3[C@H]3CCCCC3=O)cc12
InChIInChI=1S/C18H21N3O4/c1-11-14-8-12(9-19-17(14)25-20-11)18(23)21-6-7-24-10-15(21)13-4-2-3-5-16(13)22/h8-9,13,15H,2-7,10H2,1H3/t13-,15+/m1/s1
InChIKeyXNPWELMESULXSV-HIFRSBDPSA-N
XLogP2.13
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one (CID 97067364) is (2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one is Cc1noc2ncc(C(=O)N3CCOC[C@H]3[C@H]3CCCCC3=O)cc12.
What is the InChIKey of (2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one?
The InChIKey is XNPWELMESULXSV-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-14-8-12(9-19-17(14)25-20-11)18(23)21-6-7-24-10-15(21)13-4-2-3-5-16(13)22/h8-9,13,15H,2-7,10H2,1H3/t13-,15+/m1/s1.
What are the key properties of (2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one?
(2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one has a molecular weight of 343.38 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one is sourced from PubChem (CID 97067364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).