N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide

C19H24N4O2 — CID 95134326

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)N[C@H]3CCc4ccccc43)CC2)no1
InChIInChI=1S/C19H24N4O2/c1-14-12-16(21-25-14)13-22-8-10-23(11-9-22)19(24)20-18-7-6-15-4-2-3-5-17(15)18/h2-5,12,18H,6-11,13H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyIEVPOZKSRNUCEK-SFHVURJKSA-N
MW340.43 g/mol
LogP2.50
Rot. Bonds3

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 95134326) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
PubChem CID95134326
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)N[C@H]3CCc4ccccc43)CC2)no1
InChIInChI=1S/C19H24N4O2/c1-14-12-16(21-25-14)13-22-8-10-23(11-9-22)19(24)20-18-7-6-15-4-2-3-5-17(15)18/h2-5,12,18H,6-11,13H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyIEVPOZKSRNUCEK-SFHVURJKSA-N
XLogP2.50
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide (CID 95134326) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)N[C@H]3CCc4ccccc43)CC2)no1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is IEVPOZKSRNUCEK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-12-16(21-25-14)13-22-8-10-23(11-9-22)19(24)20-18-7-6-15-4-2-3-5-17(15)18/h2-5,12,18H,6-11,13H2,1H3,(H,20,24)/t18-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 95134326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).