2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine

C18H27N5O — CID 97391238

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine
SMILESCc1noc(C)c1CN1CCN(CCN(C)C)c2ncccc2C1
InChIInChI=1S/C18H27N5O/c1-14-17(15(2)24-20-14)13-22-9-11-23(10-8-21(3)4)18-16(12-22)6-5-7-19-18/h5-7H,8-13H2,1-4H3
InChIKeySTPWZULNZDRPPB-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.07
Rot. Bonds5

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine (PubChem CID 97391238) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine
PubChem CID97391238
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine
SMILESCc1noc(C)c1CN1CCN(CCN(C)C)c2ncccc2C1
InChIInChI=1S/C18H27N5O/c1-14-17(15(2)24-20-14)13-22-9-11-23(10-8-21(3)4)18-16(12-22)6-5-7-19-18/h5-7H,8-13H2,1-4H3
InChIKeySTPWZULNZDRPPB-UHFFFAOYSA-N
XLogP2.07
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine (CID 97391238) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine is Cc1noc(C)c1CN1CCN(CCN(C)C)c2ncccc2C1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine?
The InChIKey is STPWZULNZDRPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14-17(15(2)24-20-14)13-22-9-11-23(10-8-21(3)4)18-16(12-22)6-5-7-19-18/h5-7H,8-13H2,1-4H3.
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine has a molecular weight of 329.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 97391238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).