N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide

C20H27N3O4 — CID 122560015

IUPACN-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCO[C@@]12CC[C@@H](NC(=O)c3cc(C)on3)C[C@@H]1N(Cc1ccc(C)o1)CC2
InChIInChI=1S/C20H27N3O4/c1-13-4-5-16(26-13)12-23-9-8-20(25-3)7-6-15(11-18(20)23)21-19(24)17-10-14(2)27-22-17/h4-5,10,15,18H,6-9,11-12H2,1-3H3,(H,21,24)/t15-,18+,20-/m1/s1
InChIKeyJBDIDZDMNVQMRA-MOXGXCLJSA-N
MW373.45 g/mol
LogP2.83
Rot. Bonds5

About N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 122560015) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID122560015
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCO[C@@]12CC[C@@H](NC(=O)c3cc(C)on3)C[C@@H]1N(Cc1ccc(C)o1)CC2
InChIInChI=1S/C20H27N3O4/c1-13-4-5-16(26-13)12-23-9-8-20(25-3)7-6-15(11-18(20)23)21-19(24)17-10-14(2)27-22-17/h4-5,10,15,18H,6-9,11-12H2,1-3H3,(H,21,24)/t15-,18+,20-/m1/s1
InChIKeyJBDIDZDMNVQMRA-MOXGXCLJSA-N
XLogP2.83
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-[[(3aR,6S,7aS)-6-hydroxy-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 118779946
methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate
CID 112581410
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108563814
N-[1-(cyclooctylmethylcarbamoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71883290
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
CID 4677844
N-(4-aminocyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119477538
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97040038
5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47800468
N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95583405
N-[(3aR,6R,7aS)-3a-methoxy-1-(5-methyl-1H-imidazole-2-carbonyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]benzamide
CID 122561871

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 122560015) is N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide is CO[C@@]12CC[C@@H](NC(=O)c3cc(C)on3)C[C@@H]1N(Cc1ccc(C)o1)CC2.
What is the InChIKey of N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JBDIDZDMNVQMRA-MOXGXCLJSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13-4-5-16(26-13)12-23-9-8-20(25-3)7-6-15(11-18(20)23)21-19(24)17-10-14(2)27-22-17/h4-5,10,15,18H,6-9,11-12H2,1-3H3,(H,21,24)/t15-,18+,20-/m1/s1.
What are the key properties of N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6R,7aS)-3a-methoxy-1-[(5-methylfuran-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122560015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).