N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

C18H29N5O — CID 71928372

IUPACN-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1cnc(CN(C)C2CCN(CCc3cnn(C)c3)C2)o1
InChIInChI=1S/C18H29N5O/c1-14(2)17-10-19-18(24-17)13-21(3)16-6-8-23(12-16)7-5-15-9-20-22(4)11-15/h9-11,14,16H,5-8,12-13H2,1-4H3
InChIKeyKDIQIYVCRBIMND-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.28
Rot. Bonds7

About N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71928372) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71928372
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1cnc(CN(C)C2CCN(CCc3cnn(C)c3)C2)o1
InChIInChI=1S/C18H29N5O/c1-14(2)17-10-19-18(24-17)13-21(3)16-6-8-23(12-16)7-5-15-9-20-22(4)11-15/h9-11,14,16H,5-8,12-13H2,1-4H3
InChIKeyKDIQIYVCRBIMND-UHFFFAOYSA-N
XLogP2.28
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (CID 71928372) is N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is CC(C)c1cnc(CN(C)C2CCN(CCc3cnn(C)c3)C2)o1.
What is the InChIKey of N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is KDIQIYVCRBIMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14(2)17-10-19-18(24-17)13-21(3)16-6-8-23(12-16)7-5-15-9-20-22(4)11-15/h9-11,14,16H,5-8,12-13H2,1-4H3.
What are the key properties of N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 331.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).