N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide

C16H22N4O3 — CID 56717740

IUPACN-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CN(Cc2ccc(-c3ccn[nH]3)o2)CCO1
InChIInChI=1S/C16H22N4O3/c1-12(21)17-6-4-13-10-20(8-9-22-13)11-14-2-3-16(23-14)15-5-7-18-19-15/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyXDDQIWPYYYOEFY-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.40
Rot. Bonds6

About N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide

N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide (PubChem CID 56717740) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide
PubChem CID56717740
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CN(Cc2ccc(-c3ccn[nH]3)o2)CCO1
InChIInChI=1S/C16H22N4O3/c1-12(21)17-6-4-13-10-20(8-9-22-13)11-14-2-3-16(23-14)15-5-7-18-19-15/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyXDDQIWPYYYOEFY-UHFFFAOYSA-N
XLogP1.40
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3aS,5R,6R,7aR)-6-hydroxy-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172665468
4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-2-(pyrazol-1-ylmethyl)-1,4-oxazepane
CID 77090133
ethyl 4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine-1-carboxylate
CID 91786548
N-[2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]morpholin-2-yl]ethyl]acetamide
CID 56705307
(3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
CID 56891453
N-[2-[4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]ethyl]acetamide
CID 56702229
N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide
CID 126777380
1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine
CID 50953242
N-[2-[(2R)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]morpholin-2-yl]ethyl]acetamide
CID 95190577
(3R,4R)-4-(azepan-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
CID 42286515
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
1-ethyl-3-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]urea
CID 95197566

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide (CID 56717740) is N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide is CC(=O)NCCC1CN(Cc2ccc(-c3ccn[nH]3)o2)CCO1.
What is the InChIKey of N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide?
The InChIKey is XDDQIWPYYYOEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-12(21)17-6-4-13-10-20(8-9-22-13)11-14-2-3-16(23-14)15-5-7-18-19-15/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide?
N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide is sourced from PubChem (CID 56717740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).