N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide

C14H24N4O2 — CID 146084708

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide
SMILESCc1c(C(C)NC(=O)N2CCCOC(C)C2)cnn1C
InChIInChI=1S/C14H24N4O2/c1-10-9-18(6-5-7-20-10)14(19)16-11(2)13-8-15-17(4)12(13)3/h8,10-11H,5-7,9H2,1-4H3,(H,16,19)
InChIKeyWTZKYGURKKWQFW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.61
Rot. Bonds2

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide (PubChem CID 146084708) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide
PubChem CID146084708
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide
SMILESCc1c(C(C)NC(=O)N2CCCOC(C)C2)cnn1C
InChIInChI=1S/C14H24N4O2/c1-10-9-18(6-5-7-20-10)14(19)16-11(2)13-8-15-17(4)12(13)3/h8,10-11H,5-7,9H2,1-4H3,(H,16,19)
InChIKeyWTZKYGURKKWQFW-UHFFFAOYSA-N
XLogP1.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 94122019
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 146083360
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 94173692
4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 100844657
4-methyl-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967106
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
(1S,6S)-6-[[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51851312
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62988630
(2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide
CID 96566193
5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide
CID 104683752
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 92635725

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide (CID 146084708) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide is Cc1c(C(C)NC(=O)N2CCCOC(C)C2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide?
The InChIKey is WTZKYGURKKWQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-9-18(6-5-7-20-10)14(19)16-11(2)13-8-15-17(4)12(13)3/h8,10-11H,5-7,9H2,1-4H3,(H,16,19).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 146084708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).