3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide

C27H27N3O4 — CID 142694609

IUPAC3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)c1c[nH]c2cc(C(=O)NCCC3CCOCC3)ccc12
InChIInChI=1S/C27H27N3O4/c1-17-24(25(30-34-17)19-5-3-2-4-6-19)26(31)22-16-29-23-15-20(7-8-21(22)23)27(32)28-12-9-18-10-13-33-14-11-18/h2-8,15-16,18,29H,9-14H2,1H3,(H,28,32)
InChIKeyVBMVHKYVBPEDQC-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.91
Rot. Bonds7

About 3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide

3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide (PubChem CID 142694609) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide
PubChem CID142694609
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)c1c[nH]c2cc(C(=O)NCCC3CCOCC3)ccc12
InChIInChI=1S/C27H27N3O4/c1-17-24(25(30-34-17)19-5-3-2-4-6-19)26(31)22-16-29-23-15-20(7-8-21(22)23)27(32)28-12-9-18-10-13-33-14-11-18/h2-8,15-16,18,29H,9-14H2,1H3,(H,28,32)
InChIKeyVBMVHKYVBPEDQC-UHFFFAOYSA-N
XLogP4.91
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide?
The IUPAC name of 3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide (CID 142694609) is 3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)c1c[nH]c2cc(C(=O)NCCC3CCOCC3)ccc12.
What is the InChIKey of 3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide?
The InChIKey is VBMVHKYVBPEDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-17-24(25(30-34-17)19-5-3-2-4-6-19)26(31)22-16-29-23-15-20(7-8-21(22)23)27(32)28-12-9-18-10-13-33-14-11-18/h2-8,15-16,18,29H,9-14H2,1H3,(H,28,32).
What are the key properties of 3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide?
3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-[2-(oxan-4-yl)ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 142694609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).