N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine

C18H22N4O — CID 124756382

IUPACN-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine
SMILESCN(Cc1n[nH]c2c1CCC2)C[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C18H22N4O/c1-22(12-18-15-8-5-9-16(15)19-20-18)11-14-10-17(21-23-14)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeySOAWCNJKVLZVAF-CQSZACIVSA-N
MW310.40 g/mol
LogP2.52
Rot. Bonds5

About N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine

N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine (PubChem CID 124756382) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine
PubChem CID124756382
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine
SMILESCN(Cc1n[nH]c2c1CCC2)C[C@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C18H22N4O/c1-22(12-18-15-8-5-9-16(15)19-20-18)11-14-10-17(21-23-14)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeySOAWCNJKVLZVAF-CQSZACIVSA-N
XLogP2.52
TPSA53.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine (CID 124756382) is N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine is CN(Cc1n[nH]c2c1CCC2)C[C@H]1CC(c2ccccc2)=NO1.
What is the InChIKey of N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine?
The InChIKey is SOAWCNJKVLZVAF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O/c1-22(12-18-15-8-5-9-16(15)19-20-18)11-14-10-17(21-23-14)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine?
N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine has a molecular weight of 310.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine is sourced from PubChem (CID 124756382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).