2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide

C18H27N5O2 — CID 70766629

IUPAC2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCCCN1CCCn2nc(CNC(=O)c3oc(CC)nc3C)cc2C1
InChIInChI=1S/C18H27N5O2/c1-4-7-22-8-6-9-23-15(12-22)10-14(21-23)11-19-18(24)17-13(3)20-16(5-2)25-17/h10H,4-9,11-12H2,1-3H3,(H,19,24)
InChIKeyIMDDOMUZUJLXDU-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.29
Rot. Bonds6

About 2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 70766629) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID70766629
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide
SMILESCCCN1CCCn2nc(CNC(=O)c3oc(CC)nc3C)cc2C1
InChIInChI=1S/C18H27N5O2/c1-4-7-22-8-6-9-23-15(12-22)10-14(21-23)11-19-18(24)17-13(3)20-16(5-2)25-17/h10H,4-9,11-12H2,1-3H3,(H,19,24)
InChIKeyIMDDOMUZUJLXDU-UHFFFAOYSA-N
XLogP2.29
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

2-ethyl-4-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 122563446
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
CID 70741291
N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 70714209
(2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide
CID 96581300
(3R)-3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide
CID 96581008
1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea
CID 70732210
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 118786259
1-(4-fluorophenyl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropane-1-carboxamide
CID 70767161
N-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 72926554
1,1-dimethyl-3-[[5-[(5-propylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]urea
CID 70720932
N-[[5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 72895149
N-[[5-[3-(5-methylfuran-2-yl)butyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 72888585

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide (CID 70766629) is 2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide is CCCN1CCCn2nc(CNC(=O)c3oc(CC)nc3C)cc2C1.
What is the InChIKey of 2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is IMDDOMUZUJLXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-7-22-8-6-9-23-15(12-22)10-14(21-23)11-19-18(24)17-13(3)20-16(5-2)25-17/h10H,4-9,11-12H2,1-3H3,(H,19,24).
What are the key properties of 2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 70766629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).