N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide

C28H28F2N4O3 — CID 59762427

IUPACN-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide
SMILESCC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ncco4)c3c2)=N1
InChIInChI=1S/C28H28F2N4O3/c1-4-19-15-37-28(33-19)18-6-7-20-23(12-18)34(14-24-31-9-10-36-24)26(16(2)3)25(20)27(35)32-13-17-5-8-21(29)22(30)11-17/h5-12,16,19H,4,13-15H2,1-3H3,(H,32,35)/t19-/m0/s1
InChIKeyLAAZHLGGFBWCAQ-IBGZPJMESA-N
MW506.55 g/mol
LogP5.56
Rot. Bonds8

About N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide (PubChem CID 59762427) has the molecular formula C28H28F2N4O3 and a molecular weight of 506.55 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide
PubChem CID59762427
Molecular FormulaC28H28F2N4O3
Molecular Weight506.55 g/mol
Exact Mass506.21
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide
SMILESCC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ncco4)c3c2)=N1
InChIInChI=1S/C28H28F2N4O3/c1-4-19-15-37-28(33-19)18-6-7-20-23(12-18)34(14-24-31-9-10-36-24)26(16(2)3)25(20)27(35)32-13-17-5-8-21(29)22(30)11-17/h5-12,16,19H,4,13-15H2,1-3H3,(H,32,35)/t19-/m0/s1
InChIKeyLAAZHLGGFBWCAQ-IBGZPJMESA-N
XLogP5.56
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide (CID 59762427) is N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide is CC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ncco4)c3c2)=N1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide?
The InChIKey is LAAZHLGGFBWCAQ-IBGZPJMESA-N. The full InChI is InChI=1S/C28H28F2N4O3/c1-4-19-15-37-28(33-19)18-6-7-20-23(12-18)34(14-24-31-9-10-36-24)26(16(2)3)25(20)27(35)32-13-17-5-8-21(29)22(30)11-17/h5-12,16,19H,4,13-15H2,1-3H3,(H,32,35)/t19-/m0/s1.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide has a molecular weight of 506.55 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 59762427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).