5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one

C19H20ClN5O3 — CID 137415796

IUPAC5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3nc(CNCc4ncco4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C19H20ClN5O3/c20-11-8-12-17(28-14(23-12)10-21-9-13-22-6-7-27-13)15-16(11)24-18(26)25-19(15)4-2-1-3-5-19/h6-8,21H,1-5,9-10H2,(H2,24,25,26)
InChIKeyFTAWPMDZYMRMDZ-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.05
Rot. Bonds4

About 5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one

5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137415796) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is 5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137415796
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC Name5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESO=C1Nc2c(Cl)cc3nc(CNCc4ncco4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C19H20ClN5O3/c20-11-8-12-17(28-14(23-12)10-21-9-13-22-6-7-27-13)15-16(11)24-18(26)25-19(15)4-2-1-3-5-19/h6-8,21H,1-5,9-10H2,(H2,24,25,26)
InChIKeyFTAWPMDZYMRMDZ-UHFFFAOYSA-N
XLogP4.05
TPSA105.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one (CID 137415796) is 5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one.
What is the SMILES notation for 5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one is O=C1Nc2c(Cl)cc3nc(CNCc4ncco4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is FTAWPMDZYMRMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c20-11-8-12-17(28-14(23-12)10-21-9-13-22-6-7-27-13)15-16(11)24-18(26)25-19(15)4-2-1-3-5-19/h6-8,21H,1-5,9-10H2,(H2,24,25,26).
What are the key properties of 5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 401.85 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1,3-oxazol-2-ylmethylamino)methyl]spiro[6,8-dihydro-[1,3]oxazolo[5,4-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137415796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).