oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate

C16H25N3O4 — CID 154770120

IUPACoxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate
SMILESCn1cc(C(NC(=O)OCC2CCCO2)C2(CO)CCC2)cn1
InChIInChI=1S/C16H25N3O4/c1-19-9-12(8-17-19)14(16(11-20)5-3-6-16)18-15(21)23-10-13-4-2-7-22-13/h8-9,13-14,20H,2-7,10-11H2,1H3,(H,18,21)
InChIKeyYYCGJCSOASJQJV-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.53
Rot. Bonds6

About oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate

oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate (PubChem CID 154770120) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate
PubChem CID154770120
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nameoxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate
SMILESCn1cc(C(NC(=O)OCC2CCCO2)C2(CO)CCC2)cn1
InChIInChI=1S/C16H25N3O4/c1-19-9-12(8-17-19)14(16(11-20)5-3-6-16)18-15(21)23-10-13-4-2-7-22-13/h8-9,13-14,20H,2-7,10-11H2,1H3,(H,18,21)
InChIKeyYYCGJCSOASJQJV-UHFFFAOYSA-N
XLogP1.53
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(1-methylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890518
1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 115291177
3-methyl-2-(oxolan-2-ylmethoxycarbonylamino)butanoic acid
CID 18917778
oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate
CID 54390356
1-methyl-4-(oxolan-2-ylmethoxy)pyrazole
CID 116794075
oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 65355547
1-[(2S,3S)-2-(2-methylpropyl)oxan-3-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 129471752
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 129335770
2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 113279805
1-methyl-N-[2-(oxolan-2-yl)ethyl]pyrazol-4-amine
CID 79770820
[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288735
ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 43199855

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate?
The IUPAC name of oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate (CID 154770120) is oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate.
What is the SMILES notation for oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate?
The canonical SMILES for oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate is Cn1cc(C(NC(=O)OCC2CCCO2)C2(CO)CCC2)cn1.
What is the InChIKey of oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate?
The InChIKey is YYCGJCSOASJQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-19-9-12(8-17-19)14(16(11-20)5-3-6-16)18-15(21)23-10-13-4-2-7-22-13/h8-9,13-14,20H,2-7,10-11H2,1H3,(H,18,21).
What are the key properties of oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate?
oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate has a molecular weight of 323.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate is sourced from PubChem (CID 154770120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).