(4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

C19H21N5O2 — CID 128987637

IUPAC(4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1nccc1[C@H]1[C@H](NCc2nc3ccccc3o2)CC(=O)N1C1CC1
InChIInChI=1S/C19H21N5O2/c1-23-15(8-9-21-23)19-14(10-18(25)24(19)12-6-7-12)20-11-17-22-13-4-2-3-5-16(13)26-17/h2-5,8-9,12,14,19-20H,6-7,10-11H2,1H3/t14-,19-/m1/s1
InChIKeyNVDKOTGWANDIMS-AUUYWEPGSA-N
MW351.41 g/mol
LogP2.16
Rot. Bonds5

About (4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

(4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 128987637) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID128987637
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1nccc1[C@H]1[C@H](NCc2nc3ccccc3o2)CC(=O)N1C1CC1
InChIInChI=1S/C19H21N5O2/c1-23-15(8-9-21-23)19-14(10-18(25)24(19)12-6-7-12)20-11-17-22-13-4-2-3-5-16(13)26-17/h2-5,8-9,12,14,19-20H,6-7,10-11H2,1H3/t14-,19-/m1/s1
InChIKeyNVDKOTGWANDIMS-AUUYWEPGSA-N
XLogP2.16
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R,5R)-1-cyclopropyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987605
(4R,5R)-4-(1,3-benzoxazol-2-ylamino)-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980664
(4R,5R)-1-cyclopropyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980643
(5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976738
3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide
CID 167929245
(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 128969536
3-[[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122013807
(4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one
CID 128984259
(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one
CID 128971132
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide
CID 128971174
(2S,3S)-3-(1,3-benzoxazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 70483071
(5S,6S)-5-[(4-chlorophenyl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 146133545

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one (CID 128987637) is (4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one is Cn1nccc1[C@H]1[C@H](NCc2nc3ccccc3o2)CC(=O)N1C1CC1.
What is the InChIKey of (4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is NVDKOTGWANDIMS-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-15(8-9-21-23)19-14(10-18(25)24(19)12-6-7-12)20-11-17-22-13-4-2-3-5-16(13)26-17/h2-5,8-9,12,14,19-20H,6-7,10-11H2,1H3/t14-,19-/m1/s1.
What are the key properties of (4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
(4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 128987637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).