N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide

C18H27N5O2 — CID 97018897

IUPACN-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(CCn2cccn2)C1
InChIInChI=1S/C18H27N5O2/c1-14(2)17-11-19-18(25-17)13-23(15(3)24)16-5-8-21(12-16)9-10-22-7-4-6-20-22/h4,6-7,11,14,16H,5,8-10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyCWZPOPBEGBOYJY-MRXNPFEDSA-N
MW345.45 g/mol
LogP2.12
Rot. Bonds7

About N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide

N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 97018897) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide
PubChem CID97018897
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(CCn2cccn2)C1
InChIInChI=1S/C18H27N5O2/c1-14(2)17-11-19-18(25-17)13-23(15(3)24)16-5-8-21(12-16)9-10-22-7-4-6-20-22/h4,6-7,11,14,16H,5,8-10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyCWZPOPBEGBOYJY-MRXNPFEDSA-N
XLogP2.12
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide (CID 97018897) is N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(CCn2cccn2)C1.
What is the InChIKey of N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is CWZPOPBEGBOYJY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14(2)17-11-19-18(25-17)13-23(15(3)24)16-5-8-21(12-16)9-10-22-7-4-6-20-22/h4,6-7,11,14,16H,5,8-10,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide?
N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 97018897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).