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OMHYWQXDTNWHST-UHFFFAOYSA-N

C24H29N5O5 — CID 15982151

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)OC2
InChIInChI=1S/C24H29N5O5/c1-32-19-4-2-16-14-34-24(31)29(20(16)12-19)11-10-28-8-6-17(7-9-28)25-13-18-3-5-21-23(26-18)27-22(30)15-33-21/h2-5,12,17,25H,6-11,13-15H2,1H3,(H,26,27,30)
InChIKeyOMHYWQXDTNWHST-UHFFFAOYSA-N
MW467.53 g/mol
LogP2.13
Rot. Bonds7

About OMHYWQXDTNWHST-UHFFFAOYSA-N

OMHYWQXDTNWHST-UHFFFAOYSA-N (PubChem CID 15982151) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound NameOMHYWQXDTNWHST-UHFFFAOYSA-N
PubChem CID15982151
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Name6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)OC2
InChIInChI=1S/C24H29N5O5/c1-32-19-4-2-16-14-34-24(31)29(20(16)12-19)11-10-28-8-6-17(7-9-28)25-13-18-3-5-21-23(26-18)27-22(30)15-33-21/h2-5,12,17,25H,6-11,13-15H2,1H3,(H,26,27,30)
InChIKeyOMHYWQXDTNWHST-UHFFFAOYSA-N
XLogP2.13
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of OMHYWQXDTNWHST-UHFFFAOYSA-N?
The IUPAC name of OMHYWQXDTNWHST-UHFFFAOYSA-N (CID 15982151) is 6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for OMHYWQXDTNWHST-UHFFFAOYSA-N?
The canonical SMILES for OMHYWQXDTNWHST-UHFFFAOYSA-N is COc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)OC2.
What is the InChIKey of OMHYWQXDTNWHST-UHFFFAOYSA-N?
The InChIKey is OMHYWQXDTNWHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-32-19-4-2-16-14-34-24(31)29(20(16)12-19)11-10-28-8-6-17(7-9-28)25-13-18-3-5-21-23(26-18)27-22(30)15-33-21/h2-5,12,17,25H,6-11,13-15H2,1H3,(H,26,27,30).
What are the key properties of OMHYWQXDTNWHST-UHFFFAOYSA-N?
OMHYWQXDTNWHST-UHFFFAOYSA-N has a molecular weight of 467.53 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for OMHYWQXDTNWHST-UHFFFAOYSA-N is sourced from PubChem (CID 15982151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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