(5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one

C23H27N3O2 — CID 26411736

IUPAC(5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
SMILESCc1oc(-c2cccc3ccccc23)nc1CN(C[C@H]1CCC(=O)N1)C(C)C
InChIInChI=1S/C23H27N3O2/c1-15(2)26(13-18-11-12-22(27)24-18)14-21-16(3)28-23(25-21)20-10-6-8-17-7-4-5-9-19(17)20/h4-10,15,18H,11-14H2,1-3H3,(H,24,27)/t18-/m1/s1
InChIKeyQGDUPZJIXZGFLC-GOSISDBHSA-N
MW377.49 g/mol
LogP4.29
Rot. Bonds6

About (5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one

(5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one (PubChem CID 26411736) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
PubChem CID26411736
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
SMILESCc1oc(-c2cccc3ccccc23)nc1CN(C[C@H]1CCC(=O)N1)C(C)C
InChIInChI=1S/C23H27N3O2/c1-15(2)26(13-18-11-12-22(27)24-18)14-21-16(3)28-23(25-21)20-10-6-8-17-7-4-5-9-19(17)20/h4-10,15,18H,11-14H2,1-3H3,(H,24,27)/t18-/m1/s1
InChIKeyQGDUPZJIXZGFLC-GOSISDBHSA-N
XLogP4.29
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one (CID 26411736) is (5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one is Cc1oc(-c2cccc3ccccc23)nc1CN(C[C@H]1CCC(=O)N1)C(C)C.
What is the InChIKey of (5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
The InChIKey is QGDUPZJIXZGFLC-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15(2)26(13-18-11-12-22(27)24-18)14-21-16(3)28-23(25-21)20-10-6-8-17-7-4-5-9-19(17)20/h4-10,15,18H,11-14H2,1-3H3,(H,24,27)/t18-/m1/s1.
What are the key properties of (5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
(5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 26411736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).