N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide

C19H24N4O5 — CID 169418414

IUPACN-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCC(C(=O)NCC(O)c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C19H24N4O5/c1-11-17(28-10-21-11)19(27)22-13-7-5-12(6-8-13)18(26)20-9-15(24)14-3-2-4-16(25)23-14/h2-4,10,12-13,15,24H,5-9H2,1H3,(H,20,26)(H,22,27)(H,23,25)
InChIKeyCQHDYXLGDKMDCE-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.81
Rot. Bonds6

About N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 169418414) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID169418414
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCC(C(=O)NCC(O)c2cccc(=O)[nH]2)CC1
InChIInChI=1S/C19H24N4O5/c1-11-17(28-10-21-11)19(27)22-13-7-5-12(6-8-13)18(26)20-9-15(24)14-3-2-4-16(25)23-14/h2-4,10,12-13,15,24H,5-9H2,1H3,(H,20,26)(H,22,27)(H,23,25)
InChIKeyCQHDYXLGDKMDCE-UHFFFAOYSA-N
XLogP0.81
TPSA137.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 169418414) is N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCC(C(=O)NCC(O)c2cccc(=O)[nH]2)CC1.
What is the InChIKey of N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is CQHDYXLGDKMDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-11-17(28-10-21-11)19(27)22-13-7-5-12(6-8-13)18(26)20-9-15(24)14-3-2-4-16(25)23-14/h2-4,10,12-13,15,24H,5-9H2,1H3,(H,20,26)(H,22,27)(H,23,25).
What are the key properties of N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 0.81, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 169418414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).