(5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone

C18H25N5O2 — CID 97390207

IUPAC(5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
SMILESCc1cc(C(=O)N2CCc3ncc(CN4CCCCC4)n3CC2)no1
InChIInChI=1S/C18H25N5O2/c1-14-11-16(20-25-14)18(24)22-8-5-17-19-12-15(23(17)10-9-22)13-21-6-3-2-4-7-21/h11-12H,2-10,13H2,1H3
InChIKeyYLQWVGQZAFFBBR-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.86
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone (PubChem CID 97390207) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
PubChem CID97390207
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
SMILESCc1cc(C(=O)N2CCc3ncc(CN4CCCCC4)n3CC2)no1
InChIInChI=1S/C18H25N5O2/c1-14-11-16(20-25-14)18(24)22-8-5-17-19-12-15(23(17)10-9-22)13-21-6-3-2-4-7-21/h11-12H,2-10,13H2,1H3
InChIKeyYLQWVGQZAFFBBR-UHFFFAOYSA-N
XLogP1.86
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone (CID 97390207) is (5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone is Cc1cc(C(=O)N2CCc3ncc(CN4CCCCC4)n3CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The InChIKey is YLQWVGQZAFFBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-11-16(20-25-14)18(24)22-8-5-17-19-12-15(23(17)10-9-22)13-21-6-3-2-4-7-21/h11-12H,2-10,13H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone is sourced from PubChem (CID 97390207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).