N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide

C32H29N3O9 — CID 90926993

IUPACN-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCC(C)[C@@H]1C(=O)C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)ccc(-c5ccc(NC(=O)c6ccno6)cc5)c4C[C@H]3C[C@@H]12
InChIInChI=1S/C32H29N3O9/c1-13(2)22-19-12-15-11-18-17(14-3-5-16(6-4-14)35-31(42)21-9-10-34-44-21)7-8-20(36)24(18)27(38)23(15)28(39)32(19,43)29(40)25(26(22)37)30(33)41/h3-10,13,15,19,22-23,25,36,43H,11-12H2,1-2H3,(H2,33,41)(H,35,42)/t15-,19-,22-,23?,25?,32-/m0/s1
InChIKeyVPFJZCMCSMLWBT-QIGVIDNQSA-N
MW599.60 g/mol
LogP2.12
Rot. Bonds5

About N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide

N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 90926993) has the molecular formula C32H29N3O9 and a molecular weight of 599.60 g/mol. Its IUPAC name is N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID90926993
Molecular FormulaC32H29N3O9
Molecular Weight599.60 g/mol
Exact Mass599.19
IUPAC NameN-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCC(C)[C@@H]1C(=O)C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)ccc(-c5ccc(NC(=O)c6ccno6)cc5)c4C[C@H]3C[C@@H]12
InChIInChI=1S/C32H29N3O9/c1-13(2)22-19-12-15-11-18-17(14-3-5-16(6-4-14)35-31(42)21-9-10-34-44-21)7-8-20(36)24(18)27(38)23(15)28(39)32(19,43)29(40)25(26(22)37)30(33)41/h3-10,13,15,19,22-23,25,36,43H,11-12H2,1-2H3,(H2,33,41)(H,35,42)/t15-,19-,22-,23?,25?,32-/m0/s1
InChIKeyVPFJZCMCSMLWBT-QIGVIDNQSA-N
XLogP2.12
TPSA206.96 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.60
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide (CID 90926993) is N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide is CC(C)[C@@H]1C(=O)C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)ccc(-c5ccc(NC(=O)c6ccno6)cc5)c4C[C@H]3C[C@@H]12.
What is the InChIKey of N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is VPFJZCMCSMLWBT-QIGVIDNQSA-N. The full InChI is InChI=1S/C32H29N3O9/c1-13(2)22-19-12-15-11-18-17(14-3-5-16(6-4-14)35-31(42)21-9-10-34-44-21)7-8-20(36)24(18)27(38)23(15)28(39)32(19,43)29(40)25(26(22)37)30(33)41/h3-10,13,15,19,22-23,25,36,43H,11-12H2,1-2H3,(H2,33,41)(H,35,42)/t15-,19-,22-,23?,25?,32-/m0/s1.
What are the key properties of N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide?
N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 599.60 g/mol, XLogP of 2.12, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6aS,10S,10aS,11aR)-8-carbamoyl-4,6a-dihydroxy-5,6,7,9-tetraoxo-10-propan-2-yl-5a,10,10a,11,11a,12-hexahydrotetracen-1-yl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90926993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).