N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide

C16H23N5O3 — CID 56802933

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCOC(Cn3cncn3)C2)o1
InChIInChI=1S/C16H23N5O3/c1-13-3-4-14(24-13)7-19(2)16(22)10-20-5-6-23-15(8-20)9-21-12-17-11-18-21/h3-4,11-12,15H,5-10H2,1-2H3
InChIKeyZXHQPFXUKQHFAI-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.54
Rot. Bonds6

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide (PubChem CID 56802933) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
PubChem CID56802933
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCOC(Cn3cncn3)C2)o1
InChIInChI=1S/C16H23N5O3/c1-13-3-4-14(24-13)7-19(2)16(22)10-20-5-6-23-15(8-20)9-21-12-17-11-18-21/h3-4,11-12,15H,5-10H2,1-2H3
InChIKeyZXHQPFXUKQHFAI-UHFFFAOYSA-N
XLogP0.54
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Furan-2-yl-(4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-pentyl}-piperazin-1-yl)-methanone
CID 6602648
1-[1-[1-(Furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-prop-2-enylpiperazine
CID 3210043
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 655370
[4-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-piperazin-1-yl]-furan-2-yl-methanone
CID 3208558
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2385612
[4-[1-(1-Cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3208538
Furan-2-yl-{4-[1-(2-methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-piperazin-1-yl}-methanone
CID 3209259
Furan-2-yl-(4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-butyl}-piperazin-1-yl)-methanone
CID 6603074
Furan-2-yl-(4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-propyl}-piperazin-1-yl)-methanone
CID 6603457
Furan-2-yl-[4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone;hydrochloride
CID 16192797
Furan-2-yl-{4-[1-(3-methyl-butyl)-1H-tetrazol-5-ylmethyl]-piperazin-1-yl}-methanone
CID 24761983
Furan-2-yl-{4-[1-(1-isopropyl-1H-tetrazol-5-yl)-pentyl]-piperazin-1-yl}-methanone
CID 24792463

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide (CID 56802933) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide is Cc1ccc(CN(C)C(=O)CN2CCOC(Cn3cncn3)C2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The InChIKey is ZXHQPFXUKQHFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-13-3-4-14(24-13)7-19(2)16(22)10-20-5-6-23-15(8-20)9-21-12-17-11-18-21/h3-4,11-12,15H,5-10H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 56802933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).