N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide

C15H17N3O5 — CID 91774198

IUPACN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc(=O)[nH]o2)C2CC(O)C2)cn1
InChIInChI=1S/C15H17N3O5/c1-22-13-3-2-8(7-16-13)14(9-4-10(19)5-9)17-15(21)11-6-12(20)18-23-11/h2-3,6-7,9-10,14,19H,4-5H2,1H3,(H,17,21)(H,18,20)
InChIKeyUZAVPSAVBBWXTL-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.61
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide (PubChem CID 91774198) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide
PubChem CID91774198
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC NameN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc(=O)[nH]o2)C2CC(O)C2)cn1
InChIInChI=1S/C15H17N3O5/c1-22-13-3-2-8(7-16-13)14(9-4-10(19)5-9)17-15(21)11-6-12(20)18-23-11/h2-3,6-7,9-10,14,19H,4-5H2,1H3,(H,17,21)(H,18,20)
InChIKeyUZAVPSAVBBWXTL-UHFFFAOYSA-N
XLogP0.61
TPSA117.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91781221
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 91784748
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
CID 91778211
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 91772790
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 91787030
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91765615
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 91786632
2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide
CID 91768425
2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91760458
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 91796938
2-ethyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 91759864
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide
CID 91792010

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide (CID 91774198) is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide is COc1ccc(C(NC(=O)c2cc(=O)[nH]o2)C2CC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide?
The InChIKey is UZAVPSAVBBWXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-22-13-3-2-8(7-16-13)14(9-4-10(19)5-9)17-15(21)11-6-12(20)18-23-11/h2-3,6-7,9-10,14,19H,4-5H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide?
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91774198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).