N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide

C18H24N4O3 — CID 50956228

IUPACN-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
SMILESCCCc1nc(CN(CC)C(=O)c2ccc3c(c2)OCCN3C)no1
InChIInChI=1S/C18H24N4O3/c1-4-6-17-19-16(20-25-17)12-22(5-2)18(23)13-7-8-14-15(11-13)24-10-9-21(14)3/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyKJXWCJUBTYFCBU-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.51
Rot. Bonds6

About N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide

N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide (PubChem CID 50956228) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
PubChem CID50956228
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
SMILESCCCc1nc(CN(CC)C(=O)c2ccc3c(c2)OCCN3C)no1
InChIInChI=1S/C18H24N4O3/c1-4-6-17-19-16(20-25-17)12-22(5-2)18(23)13-7-8-14-15(11-13)24-10-9-21(14)3/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyKJXWCJUBTYFCBU-UHFFFAOYSA-N
XLogP2.51
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide with MolForge

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Related Compounds

N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indolizine-3-carboxamide
CID 162631833
N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide
CID 75375177
3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 121495878
N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 153387459
1-ethyl-3-[[(2S)-oxan-2-yl]methyl]-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 126443340
4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid
CID 61496101
1-ethyl-N-methyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-carboxamide
CID 131943602
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743
(5R)-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-5-carboxylic acid
CID 164631448
N-ethyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 72907544
N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 46995525
3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol
CID 83777474

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide (CID 50956228) is N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide is CCCc1nc(CN(CC)C(=O)c2ccc3c(c2)OCCN3C)no1.
What is the InChIKey of N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
The InChIKey is KJXWCJUBTYFCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-6-17-19-16(20-25-17)12-22(5-2)18(23)13-7-8-14-15(11-13)24-10-9-21(14)3/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 50956228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).