2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide

C19H27N5O4 — CID 164637817

IUPAC2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCOCC(=O)N[C@@H]1CN(C(=O)c2nc(C(C)C)oc2C)C[C@H]1c1ccnn1C
InChIInChI=1S/C19H27N5O4/c1-11(2)18-22-17(12(3)28-18)19(26)24-8-13(15-6-7-20-23(15)4)14(9-24)21-16(25)10-27-5/h6-7,11,13-14H,8-10H2,1-5H3,(H,21,25)/t13-,14-/m1/s1
InChIKeyULNUQHRCZXZXRR-ZIAGYGMSSA-N
MW389.46 g/mol
LogP1.21
Rot. Bonds6

About 2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide

2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide (PubChem CID 164637817) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide
PubChem CID164637817
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCOCC(=O)N[C@@H]1CN(C(=O)c2nc(C(C)C)oc2C)C[C@H]1c1ccnn1C
InChIInChI=1S/C19H27N5O4/c1-11(2)18-22-17(12(3)28-18)19(26)24-8-13(15-6-7-20-23(15)4)14(9-24)21-16(25)10-27-5/h6-7,11,13-14H,8-10H2,1-5H3,(H,21,25)/t13-,14-/m1/s1
InChIKeyULNUQHRCZXZXRR-ZIAGYGMSSA-N
XLogP1.21
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide (CID 164637817) is 2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide is COCC(=O)N[C@@H]1CN(C(=O)c2nc(C(C)C)oc2C)C[C@H]1c1ccnn1C.
What is the InChIKey of 2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is ULNUQHRCZXZXRR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-11(2)18-22-17(12(3)28-18)19(26)24-8-13(15-6-7-20-23(15)4)14(9-24)21-16(25)10-27-5/h6-7,11,13-14H,8-10H2,1-5H3,(H,21,25)/t13-,14-/m1/s1.
What are the key properties of 2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide?
2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3S,4R)-1-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-4-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 164637817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).