N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one

C56H62N6O7S — CID 159633044

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one (PubChem CID 159633044) has the molecular formula C56H62N6O7S and a molecular weight of 963.21 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one
• PubChem CID: 159633044
• Molecular Formula: C56H62N6O7S
• Molecular Weight: 963.21 g/mol
• Exact Mass: 962.44
• IUPAC Name: N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one
• SMILES: CC(C)N1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)CCc4cncs4)cc3)cc1C(=O)N2C.Cc1cc(CNC(=O)c2ccc(-c3ccc4c(c3)C(=O)CC3(CCN(C(C)C)CC3)O4)cc2)on1
• InChI: InChI=1S/C28H31N3O4.C28H31N3O3S/c1-18(2)31-12-10-28(11-13-31)16-25(32)24-15-22(8-9-26(24)34-28)20-4-6-21(7-5-20)27(33)29-17-23-14-19(3)30-35-23;1-19(2)31-14-12-28(13-15-31)30(3)27(33)24-16-22(8-11-26(24)34-28)20-4-6-21(7-5-20)25(32)10-9-23-17-29-18-35-23/h4-9,14-15,18H,10-13,16-17H2,1-3H3,(H,29,33);4-8,11,16-19H,9-10,12-15H2,1-3H3
• InChIKey: MPJJVPKSGHAHKS-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 147.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	963.21
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one?

The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one (CID 159633044) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one.

What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one?

The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one is CC(C)N1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)CCc4cncs4)cc3)cc1C(=O)N2C.Cc1cc(CNC(=O)c2ccc(-c3ccc4c(c3)C(=O)CC3(CCN(C(C)C)CC3)O4)cc2)on1.

What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one?

The InChIKey is MPJJVPKSGHAHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4.C28H31N3O3S/c1-18(2)31-12-10-28(11-13-31)16-25(32)24-15-22(8-9-26(24)34-28)20-4-6-21(7-5-20)27(33)29-17-23-14-19(3)30-35-23;1-19(2)31-14-12-28(13-15-31)30(3)27(33)24-16-22(8-11-26(24)34-28)20-4-6-21(7-5-20)25(32)10-9-23-17-29-18-35-23/h4-9,14-15,18H,10-13,16-17H2,1-3H3,(H,29,33);4-8,11,16-19H,9-10,12-15H2,1-3H3.

What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one?

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one has a molecular weight of 963.21 g/mol, XLogP of 10.08, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;3-methyl-1'-propan-2-yl-6-[4-[3-(1,3-thiazol-5-yl)propanoyl]phenyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one is sourced from PubChem (CID 159633044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).