14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one

C19H19N3O5 — CID 67151473

IUPAC14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one
SMILESO=C1CCN(C(=O)c2ccno2)c2cc3c(cc2CN1CC1CC1)OCO3
InChIInChI=1S/C19H19N3O5/c23-18-4-6-22(19(24)15-3-5-20-27-15)14-8-17-16(25-11-26-17)7-13(14)10-21(18)9-12-1-2-12/h3,5,7-8,12H,1-2,4,6,9-11H2
InChIKeyGQKPNGKYHIZQQV-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.19
Rot. Bonds3

About 14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one

14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one (PubChem CID 67151473) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one.

Molecular Properties

Compound Name14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one
PubChem CID67151473
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one
SMILESO=C1CCN(C(=O)c2ccno2)c2cc3c(cc2CN1CC1CC1)OCO3
InChIInChI=1S/C19H19N3O5/c23-18-4-6-22(19(24)15-3-5-20-27-15)14-8-17-16(25-11-26-17)7-13(14)10-21(18)9-12-1-2-12/h3,5,7-8,12H,1-2,4,6,9-11H2
InChIKeyGQKPNGKYHIZQQV-UHFFFAOYSA-N
XLogP2.19
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one?
The IUPAC name of 14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one (CID 67151473) is 14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one.
What is the SMILES notation for 14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one?
The canonical SMILES for 14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one is O=C1CCN(C(=O)c2ccno2)c2cc3c(cc2CN1CC1CC1)OCO3.
What is the InChIKey of 14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one?
The InChIKey is GQKPNGKYHIZQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-18-4-6-22(19(24)15-3-5-20-27-15)14-8-17-16(25-11-26-17)7-13(14)10-21(18)9-12-1-2-12/h3,5,7-8,12H,1-2,4,6,9-11H2.
What are the key properties of 14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one?
14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one has a molecular weight of 369.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(cyclopropylmethyl)-10-(1,2-oxazole-5-carbonyl)-4,6-dioxa-10,14-diazatricyclo[7.6.0.03,7]pentadeca-1,3(7),8-trien-13-one is sourced from PubChem (CID 67151473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).