N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide

C32H32N4O8 — CID 71104244

IUPACN-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCN(C)[C@@H]1C(O)=C(C(N)=O)C(C)(O)C2C(=O)C3=C(O)c4c(O)ccc(-c5ccc(NC(=O)c6ccno6)cc5)c4CC3CC21
InChIInChI=1S/C32H32N4O8/c1-32(43)24-19(26(36(2)3)29(40)25(32)30(33)41)13-15-12-18-17(8-9-20(37)23(18)27(38)22(15)28(24)39)14-4-6-16(7-5-14)35-31(42)21-10-11-34-44-21/h4-11,15,19,24,26,37-38,40,43H,12-13H2,1-3H3,(H2,33,41)(H,35,42)/t15?,19?,24?,26-,32?/m0/s1
InChIKeyPVTFKOKMCMPWMX-QNGVKRFOSA-N
MW600.63 g/mol
LogP2.94
Rot. Bonds5

About N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide

N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 71104244) has the molecular formula C32H32N4O8 and a molecular weight of 600.63 g/mol. Its IUPAC name is N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID71104244
Molecular FormulaC32H32N4O8
Molecular Weight600.63 g/mol
Exact Mass600.22
IUPAC NameN-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCN(C)[C@@H]1C(O)=C(C(N)=O)C(C)(O)C2C(=O)C3=C(O)c4c(O)ccc(-c5ccc(NC(=O)c6ccno6)cc5)c4CC3CC21
InChIInChI=1S/C32H32N4O8/c1-32(43)24-19(26(36(2)3)29(40)25(32)30(33)41)13-15-12-18-17(8-9-20(37)23(18)27(38)22(15)28(24)39)14-4-6-16(7-5-14)35-31(42)21-10-11-34-44-21/h4-11,15,19,24,26,37-38,40,43H,12-13H2,1-3H3,(H2,33,41)(H,35,42)/t15?,19?,24?,26-,32?/m0/s1
InChIKeyPVTFKOKMCMPWMX-QNGVKRFOSA-N
XLogP2.94
TPSA199.45 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.63
LogP ≤ 52.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide (CID 71104244) is N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide is CN(C)[C@@H]1C(O)=C(C(N)=O)C(C)(O)C2C(=O)C3=C(O)c4c(O)ccc(-c5ccc(NC(=O)c6ccno6)cc5)c4CC3CC21.
What is the InChIKey of N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is PVTFKOKMCMPWMX-QNGVKRFOSA-N. The full InChI is InChI=1S/C32H32N4O8/c1-32(43)24-19(26(36(2)3)29(40)25(32)30(33)41)13-15-12-18-17(8-9-20(37)23(18)27(38)22(15)28(24)39)14-4-6-16(7-5-14)35-31(42)21-10-11-34-44-21/h4-11,15,19,24,26,37-38,40,43H,12-13H2,1-3H3,(H2,33,41)(H,35,42)/t15?,19?,24?,26-,32?/m0/s1.
What are the key properties of N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide?
N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 600.63 g/mol, XLogP of 2.94, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(10S)-8-carbamoyl-10-(dimethylamino)-4,5,7,9-tetrahydroxy-7-methyl-6-oxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71104244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).