1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C25H26ClN5O3 — CID 91889577

IUPAC1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(Cl)cc2)C3)CC1
InChIInChI=1S/C25H26ClN5O3/c26-19-6-4-17(5-7-19)22-14-31-16-29-23(21(31)15-34-22)25(33)30-11-8-18(9-12-30)24(32)28-13-20-3-1-2-10-27-20/h1-7,10,16,18,22H,8-9,11-15H2,(H,28,32)
InChIKeyWNPQMCZAWRKUOG-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.37
Rot. Bonds5

About 1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 91889577) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID91889577
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC Name1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(Cl)cc2)C3)CC1
InChIInChI=1S/C25H26ClN5O3/c26-19-6-4-17(5-7-19)22-14-31-16-29-23(21(31)15-34-22)25(33)30-11-8-18(9-12-30)24(32)28-13-20-3-1-2-10-27-20/h1-7,10,16,18,22H,8-9,11-15H2,(H,28,32)
InChIKeyWNPQMCZAWRKUOG-UHFFFAOYSA-N
XLogP3.37
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 91889577) is 1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(Cl)cc2)C3)CC1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is WNPQMCZAWRKUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c26-19-6-4-17(5-7-19)22-14-31-16-29-23(21(31)15-34-22)25(33)30-11-8-18(9-12-30)24(32)28-13-20-3-1-2-10-27-20/h1-7,10,16,18,22H,8-9,11-15H2,(H,28,32).
What are the key properties of 1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 479.97 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 91889577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).