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

C15H22N4O — CID 77093325

IUPACN-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine
SMILESCC(C)c1nc(CN(C)Cc2n[nH]c3c2CCC3)co1
InChIInChI=1S/C15H22N4O/c1-10(2)15-16-11(9-20-15)7-19(3)8-14-12-5-4-6-13(12)17-18-14/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyAJLRTPSKAKZXBD-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.64
Rot. Bonds5

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

N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine (PubChem CID 77093325) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine
PubChem CID77093325
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine
SMILESCC(C)c1nc(CN(C)Cc2n[nH]c3c2CCC3)co1
InChIInChI=1S/C15H22N4O/c1-10(2)15-16-11(9-20-15)7-19(3)8-14-12-5-4-6-13(12)17-18-14/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyAJLRTPSKAKZXBD-UHFFFAOYSA-N
XLogP2.64
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine (CID 77093325) is N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine is CC(C)c1nc(CN(C)Cc2n[nH]c3c2CCC3)co1.
What is the InChIKey of N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine?
The InChIKey is AJLRTPSKAKZXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)15-16-11(9-20-15)7-19(3)8-14-12-5-4-6-13(12)17-18-14/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine?
N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine has a molecular weight of 274.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine is sourced from PubChem (CID 77093325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).