1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide

C29H29FN4O2 — CID 59762399

IUPAC1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccc1
InChIInChI=1S/C29H29FN4O2/c1-18(2)27-26(28(35)32-14-21-11-23(30)15-31-13-21)24-10-9-22(29-33-19(3)17-36-29)12-25(24)34(27)16-20-7-5-4-6-8-20/h4-13,15,18-19H,14,16-17H2,1-3H3,(H,32,35)/t19-/m0/s1
InChIKeyHTMGGYJULJCOBG-IBGZPJMESA-N
MW484.58 g/mol
LogP5.44
Rot. Bonds7

About 1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide

1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide (PubChem CID 59762399) has the molecular formula C29H29FN4O2 and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide
PubChem CID59762399
Molecular FormulaC29H29FN4O2
Molecular Weight484.58 g/mol
Exact Mass484.23
IUPAC Name1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccc1
InChIInChI=1S/C29H29FN4O2/c1-18(2)27-26(28(35)32-14-21-11-23(30)15-31-13-21)24-10-9-22(29-33-19(3)17-36-29)12-25(24)34(27)16-20-7-5-4-6-8-20/h4-13,15,18-19H,14,16-17H2,1-3H3,(H,32,35)/t19-/m0/s1
InChIKeyHTMGGYJULJCOBG-IBGZPJMESA-N
XLogP5.44
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide (CID 59762399) is 1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide is CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide?
The InChIKey is HTMGGYJULJCOBG-IBGZPJMESA-N. The full InChI is InChI=1S/C29H29FN4O2/c1-18(2)27-26(28(35)32-14-21-11-23(30)15-31-13-21)24-10-9-22(29-33-19(3)17-36-29)12-25(24)34(27)16-20-7-5-4-6-8-20/h4-13,15,18-19H,14,16-17H2,1-3H3,(H,32,35)/t19-/m0/s1.
What are the key properties of 1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide?
1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(5-fluoro-3-pyridinyl)methyl]-6-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 59762399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).