N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide

C26H27N5O4 — CID 58344550

IUPACN-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCOCC3)no2)cc1C#N
InChIInChI=1S/C26H27N5O4/c1-16(2)34-23-9-6-17(14-18(23)15-27)25-29-24(30-35-25)21-5-3-4-20-19(21)7-8-22(20)28-26(32)31-10-12-33-13-11-31/h3-6,9,14,16,22H,7-8,10-13H2,1-2H3,(H,28,32)/t22-/m0/s1
InChIKeyPNHOKHNYJMNPRA-QFIPXVFZSA-N
MW473.53 g/mol
LogP4.09
Rot. Bonds5

About N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide

N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide (PubChem CID 58344550) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide
PubChem CID58344550
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC NameN-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCOCC3)no2)cc1C#N
InChIInChI=1S/C26H27N5O4/c1-16(2)34-23-9-6-17(14-18(23)15-27)25-29-24(30-35-25)21-5-3-4-20-19(21)7-8-22(20)28-26(32)31-10-12-33-13-11-31/h3-6,9,14,16,22H,7-8,10-13H2,1-2H3,(H,28,32)/t22-/m0/s1
InChIKeyPNHOKHNYJMNPRA-QFIPXVFZSA-N
XLogP4.09
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide (CID 58344550) is N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCOCC3)no2)cc1C#N.
What is the InChIKey of N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide?
The InChIKey is PNHOKHNYJMNPRA-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-16(2)34-23-9-6-17(14-18(23)15-27)25-29-24(30-35-25)21-5-3-4-20-19(21)7-8-22(20)28-26(32)31-10-12-33-13-11-31/h3-6,9,14,16,22H,7-8,10-13H2,1-2H3,(H,28,32)/t22-/m0/s1.
What are the key properties of N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide?
N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]morpholine-4-carboxamide is sourced from PubChem (CID 58344550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).