4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile

C24H22N4O3 — CID 155547685

IUPAC4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile
SMILESCOCc1ccccc1[C@@H]1OCCn2cc(-c3cc4c(OC)c(C#N)ccc4[nH]3)nc21
InChIInChI=1S/C24H22N4O3/c1-29-14-16-5-3-4-6-17(16)23-24-27-21(13-28(24)9-10-31-23)20-11-18-19(26-20)8-7-15(12-25)22(18)30-2/h3-8,11,13,23,26H,9-10,14H2,1-2H3/t23-/m0/s1
InChIKeyPKLALEKIGAUIEA-QHCPKHFHSA-N
MW414.47 g/mol
LogP4.18
Rot. Bonds5

About 4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile

4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile (PubChem CID 155547685) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile
PubChem CID155547685
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile
SMILESCOCc1ccccc1[C@@H]1OCCn2cc(-c3cc4c(OC)c(C#N)ccc4[nH]3)nc21
InChIInChI=1S/C24H22N4O3/c1-29-14-16-5-3-4-6-17(16)23-24-27-21(13-28(24)9-10-31-23)20-11-18-19(26-20)8-7-15(12-25)22(18)30-2/h3-8,11,13,23,26H,9-10,14H2,1-2H3/t23-/m0/s1
InChIKeyPKLALEKIGAUIEA-QHCPKHFHSA-N
XLogP4.18
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile?
The IUPAC name of 4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile (CID 155547685) is 4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile?
The canonical SMILES for 4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile is COCc1ccccc1[C@@H]1OCCn2cc(-c3cc4c(OC)c(C#N)ccc4[nH]3)nc21.
What is the InChIKey of 4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile?
The InChIKey is PKLALEKIGAUIEA-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-29-14-16-5-3-4-6-17(16)23-24-27-21(13-28(24)9-10-31-23)20-11-18-19(26-20)8-7-15(12-25)22(18)30-2/h3-8,11,13,23,26H,9-10,14H2,1-2H3/t23-/m0/s1.
What are the key properties of 4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile?
4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile has a molecular weight of 414.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(8S)-8-[2-(methoxymethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 155547685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).