[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone

C16H19N5O5 — CID 133463468

IUPAC[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone
SMILESCc1nc(CN(C)c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])no1
InChIInChI=1S/C16H19N5O5/c1-11-17-15(18-26-11)10-19(2)13-4-3-12(9-14(13)21(23)24)16(22)20-5-7-25-8-6-20/h3-4,9H,5-8,10H2,1-2H3
InChIKeyQEXXBEYUHMIMFQ-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.40
Rot. Bonds5

About [4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone

[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone (PubChem CID 133463468) has the molecular formula C16H19N5O5 and a molecular weight of 361.36 g/mol. Its IUPAC name is [4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone
PubChem CID133463468
Molecular FormulaC16H19N5O5
Molecular Weight361.36 g/mol
Exact Mass361.14
IUPAC Name[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone
SMILESCc1nc(CN(C)c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])no1
InChIInChI=1S/C16H19N5O5/c1-11-17-15(18-26-11)10-19(2)13-4-3-12(9-14(13)21(23)24)16(22)20-5-7-25-8-6-20/h3-4,9H,5-8,10H2,1-2H3
InChIKeyQEXXBEYUHMIMFQ-UHFFFAOYSA-N
XLogP1.40
TPSA114.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitro-N-propan-2-ylbenzamide
CID 133463472
4-iodo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitroaniline
CID 133463433
[4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133288147
[4-(3,5-dimethylpiperidin-1-yl)-3-nitrophenyl]-morpholin-4-ylmethanone
CID 78777281
[4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-nitrophenyl]-phenylmethanone
CID 47026025
[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133406075
[4-(3-methylbutylsulfanyl)-3-nitrophenyl]-morpholin-4-ylmethanone
CID 112762926
1-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrophenyl]ethanone
CID 56805703
methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate
CID 22636380
[4-(dimethylamino)-3-nitrophenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9081443
morpholin-4-yl-[3-nitro-4-(4-propyl-1,4-diazepan-1-yl)phenyl]methanone
CID 133322486
[4-[ethyl(methyl)amino]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-3-nitrophenyl)methanone
CID 42870829

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone (CID 133463468) is [4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone is Cc1nc(CN(C)c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])no1.
What is the InChIKey of [4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone?
The InChIKey is QEXXBEYUHMIMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O5/c1-11-17-15(18-26-11)10-19(2)13-4-3-12(9-14(13)21(23)24)16(22)20-5-7-25-8-6-20/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of [4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone?
[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone has a molecular weight of 361.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-nitrophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133463468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).